There are 15 CoeSFMs: |
Nbr of Motifs per PDB entry | PDB Entry | Title | Determination Method | Resolution | R-Factor |
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2 | 1XHL | Crystal Structure of putative Tropinone Reductase-II from Caenorhabditis Elegans with Cofactor and Substrate | X-RAY | 2.40 | 0.191
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| Motif No./Chain | Motif | Bound Ligand /(Nbr. in PDB) | Show Details |
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| 1 / A |
> Structure: LLLHSLHLLLLLLLHSLHHSLLLLH
+10w
> Sequence: GSSNGIGRNRADVTNAGLVSSYKPGAVTGF
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NDP /(1278) |
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> Graphics rep1:
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> Graphics rep2:
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Protein Chain | Prot SSE | Res Nbr | Res Name | RsAt.Name | LgAt.Name |
Lg Chain | Lg Nbr | Bnd Len | Bnd Type |
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A | No SSE | 13 | GLY | CA | C4B | A | 1278 | 3.86 | van der Waals | A | No SSE | 13 | GLY | CA | O4B | A | 1278 | 3.42 | van der Waals | A | No SSE | 13 | GLY | CA | C3B | A | 1278 | 3.89 | van der Waals | A | No SSE | 13 | GLY | CA | O3B | A | 1278 | 3.15 | van der Waals | A | No SSE | 13 | GLY | CA | C1B | A | 1278 | 3.62 | van der Waals | A | No SSE | 13 | GLY | C | O3B | A | 1278 | 2.87 | van der Waals | A | No SSE | 13 | GLY | O | C4B | A | 1278 | 3.78 | van der Waals | A | No SSE | 13 | GLY | O | C3B | A | 1278 | 3.77 | van der Waals | A | No SSE | 13 | GLY | O | O3B | A | 1278 | 2.73 | H.Bond | A | No SSE | 14 | SER | N | O3B | A | 1278 | 3.63 | H.Bond | A | No SSE | 15 | SER | N | O3B | A | 1278 | 3.28 | H.Bond | A | No SSE | 15 | SER | CA | O3B | A | 1278 | 3.89 | van der Waals | A | No SSE | 15 | SER | C | O3B | A | 1278 | 3.84 | van der Waals | A | No SSE | 15 | SER | CB | O3B | A | 1278 | 3.97 | van der Waals | A | No SSE | 15 | SER | CB | O1X | A | 1278 | 3.93 | van der Waals | A | No SSE | 15 | SER | OG | C3B | A | 1278 | 3.58 | van der Waals | A | No SSE | 15 | SER | OG | O3B | A | 1278 | 2.96 | H.Bond | A | No SSE | 15 | SER | OG | C2B | A | 1278 | 3.69 | van der Waals | A | No SSE | 15 | SER | OG | O2B | A | 1278 | 2.77 | H.Bond | A | No SSE | 15 | SER | OG | P2B | A | 1278 | 3.02 | | A | No SSE | 15 | SER | OG | O1X | A | 1278 | 3.06 | H.Bond | A | 16-29 H: 1 | 16 | ASN | N | O3B | A | 1278 | 3.24 | H.Bond | A | 16-29 H: 1 | 16 | ASN | CA | O3B | A | 1278 | 3.98 | van der Waals | A | 16-29 H: 1 | 16 | ASN | O | O3B | A | 1278 | 3.76 | H.Bond | A | 16-29 H: 1 | 16 | ASN | CB | O3B | A | 1278 | 3.96 | van der Waals | A | 16-29 H: 1 | 16 | ASN | ND2 | O1A | A | 1278 | 3.72 | H.Bond | A | 16-29 H: 1 | 17 | GLY | N | O1A | A | 1278 | 3.79 | H.Bond | A | 16-29 H: 1 | 17 | GLY | CA | O1A | A | 1278 | 3.72 | van der Waals | A | 16-29 H: 1 | 17 | GLY | CA | O2N | A | 1278 | 3.17 | van der Waals | A | 16-29 H: 1 | 17 | GLY | C | O2N | A | 1278 | 3.39 | van der Waals | A | 16-29 H: 1 | 18 | ILE | N | O2N | A | 1278 | 2.7 | H.Bond | A | 16-29 H: 1 | 18 | ILE | CA | O2N | A | 1278 | 3.74 | van der Waals | A | 16-29 H: 1 | 18 | ILE | CB | O2N | A | 1278 | 3.66 | van der Waals | A | 16-29 H: 1 | 18 | ILE | CG1 | O1N | A | 1278 | 3.75 | van der Waals | A | 16-29 H: 1 | 18 | ILE | CG1 | O2N | A | 1278 | 3.59 | van der Waals | A | 16-29 H: 1 | 18 | ILE | CD1 | O1N | A | 1278 | 3.41 | van der Waals | A | 16-29 H: 1 | 18 | ILE | CD1 | O4D | A | 1278 | 3.81 | van der Waals | A | 32-37 S: 1 | 37 | GLY | CA | O1X | A | 1278 | 3.81 | van der Waals | A | 32-37 S: 1 | 37 | GLY | C | O1X | A | 1278 | 3.68 | van der Waals | A | No SSE | 38 | ARG | N | P2B | A | 1278 | 3.84 | | A | No SSE | 38 | ARG | N | O1X | A | 1278 | 2.78 | H.Bond | A | No SSE | 38 | ARG | N | O3X | A | 1278 | 3.35 | H.Bond | A | No SSE | 38 | ARG | CA | O1X | A | 1278 | 3.51 | van der Waals | A | No SSE | 38 | ARG | C | O1X | A | 1278 | 3.51 | van der Waals | A | No SSE | 38 | ARG | CB | O1X | A | 1278 | 3.84 | van der Waals | A | No SSE | 38 | ARG | CB | O3X | A | 1278 | 3.66 | van der Waals | A | No SSE | 38 | ARG | CG | N1A | A | 1278 | 3.72 | H.Bond | A | No SSE | 38 | ARG | CG | C2A | A | 1278 | 3.8 | van der Waals | A | No SSE | 38 | ARG | CD | C6A | A | 1278 | 3.59 | van der Waals | A | No SSE | 38 | ARG | CD | N6A | A | 1278 | 3.8 | H.Bond | A | No SSE | 38 | ARG | CD | N1A | A | 1278 | 3.48 | H.Bond | A | No SSE | 38 | ARG | CD | C2A | A | 1278 | 3.99 | van der Waals | A | No SSE | 38 | ARG | NE | C5A | A | 1278 | 3.64 | H.Bond | A | No SSE | 38 | ARG | NE | C6A | A | 1278 | 3.52 | H.Bond | A | No SSE | 38 | ARG | NE | N6A | A | 1278 | 3.93 | H.Bond | A | No SSE | 38 | ARG | NE | N1A | A | 1278 | 3.8 | H.Bond | A | No SSE | 38 | ARG | NE | C4A | A | 1278 | 3.97 | H.Bond | A | No SSE | 38 | ARG | NE | O3X | A | 1278 | 3.07 | H.Bond | A | No SSE | 38 | ARG | CZ | N7A | A | 1278 | 3.68 | H.Bond | A | No SSE | 38 | ARG | CZ | C5A | A | 1278 | 3.56 | van der Waals | A | No SSE | 38 | ARG | CZ | C6A | A | 1278 | 3.63 | van der Waals | A | No SSE | 38 | ARG | CZ | N6A | A | 1278 | 3.78 | H.Bond | A | No SSE | 38 | ARG | CZ | O3X | A | 1278 | 3.65 | van der Waals | A | No SSE | 38 | ARG | NH1 | C5A | A | 1278 | 3.99 | H.Bond | A | No SSE | 38 | ARG | NH1 | C6A | A | 1278 | 3.75 | H.Bond | A | No SSE | 38 | ARG | NH1 | N6A | A | 1278 | 3.41 | H.Bond | A | No SSE | 38 | ARG | NH2 | C8A | A | 1278 | 3.81 | H.Bond | A | No SSE | 38 | ARG | NH2 | N7A | A | 1278 | 3.48 | H.Bond | A | No SSE | 38 | ARG | NH2 | C5A | A | 1278 | 3.77 | H.Bond | A | No SSE | 38 | ARG | NH2 | O2X | A | 1278 | 3.67 | H.Bond | A | No SSE | 38 | ARG | NH2 | O3X | A | 1278 | 3.34 | H.Bond | A | 39-53 H: 1 | 39 | ASN | N | O1X | A | 1278 | 2.6 | H.Bond | A | 39-53 H: 1 | 39 | ASN | CA | O1X | A | 1278 | 3.46 | van der Waals | A | 39-53 H: 1 | 39 | ASN | CB | O1X | A | 1278 | 3.22 | van der Waals | A | 39-53 H: 1 | 42 | ARG | CZ | P2B | A | 1278 | 3.8 | | A | 39-53 H: 1 | 42 | ARG | CZ | O2X | A | 1278 | 3.48 | van der Waals | A | 39-53 H: 1 | 42 | ARG | NH1 | P2B | A | 1278 | 3.34 | | A | 39-53 H: 1 | 42 | ARG | NH1 | O1X | A | 1278 | 3.76 | H.Bond | A | 39-53 H: 1 | 42 | ARG | NH1 | O2X | A | 1278 | 2.66 | H.Bond | A | 39-53 H: 1 | 42 | ARG | NH2 | P2B | A | 1278 | 3.36 | | A | 39-53 H: 1 | 42 | ARG | NH2 | O1X | A | 1278 | 3.76 | H.Bond | A | 39-53 H: 1 | 42 | ARG | NH2 | O2X | A | 1278 | 3.45 | H.Bond | A | No SSE | 65 | ALA | O | C2A | A | 1278 | 3.59 | van der Waals | A | No SSE | 66 | ASP | CA | N1A | A | 1278 | 3.56 | H.Bond | A | No SSE | 66 | ASP | C | N1A | A | 1278 | 3.72 | H.Bond | A | No SSE | 66 | ASP | CG | N6A | A | 1278 | 3.82 | H.Bond | A | No SSE | 66 | ASP | CG | N1A | A | 1278 | 3.96 | H.Bond | A | No SSE | 66 | ASP | OD2 | C6A | A | 1278 | 3.62 | van der Waals | A | No SSE | 66 | ASP | OD2 | N6A | A | 1278 | 2.99 | H.Bond | A | No SSE | 66 | ASP | OD2 | N1A | A | 1278 | 3.23 | H.Bond | A | No SSE | 67 | VAL | N | N1A | A | 1278 | 2.97 | H.Bond | A | No SSE | 67 | VAL | N | C2A | A | 1278 | 3.35 | H.Bond | A | No SSE | 67 | VAL | CA | N1A | A | 1278 | 3.91 | H.Bond | A | No SSE | 67 | VAL | CB | N1A | A | 1278 | 3.78 | H.Bond | A | No SSE | 67 | VAL | CB | C2A | A | 1278 | 3.78 | van der Waals | A | No SSE | 67 | VAL | CG1 | C6A | A | 1278 | 3.67 | van der Waals | A | No SSE | 67 | VAL | CG1 | N1A | A | 1278 | 3.29 | H.Bond | A | No SSE | 67 | VAL | CG1 | C2A | A | 1278 | 3.62 | van der Waals | A | No SSE | 68 | THR | CG2 | N6A | A | 1278 | 3.94 | H.Bond | A | No SSE | 93 | ASN | C | O3D | A | 1278 | 3.58 | van der Waals | A | No SSE | 93 | ASN | O | C5D | A | 1278 | 3.99 | van der Waals | A | No SSE | 93 | ASN | O | C4D | A | 1278 | 3.1 | van der Waals | A | No SSE | 93 | ASN | O | C3D | A | 1278 | 3.16 | van der Waals | A | No SSE | 93 | ASN | O | O3D | A | 1278 | 2.51 | H.Bond | A | No SSE | 93 | ASN | OD1 | C4D | A | 1278 | 3.79 | van der Waals | A | No SSE | 94 | ALA | CA | O4B | A | 1278 | 3.59 | van der Waals | A | No SSE | 94 | ALA | C | O3D | A | 1278 | 3.7 | van der Waals | A | No SSE | 94 | ALA | O | O3D | A | 1278 | 3.76 | H.Bond | A | No SSE | 94 | ALA | CB | O4B | A | 1278 | 3.96 | van der Waals | A | No SSE | 95 | GLY | N | O4B | A | 1278 | 3.74 | H.Bond | A | No SSE | 95 | GLY | N | C3D | A | 1278 | 3.53 | H.Bond | A | No SSE | 95 | GLY | N | O3D | A | 1278 | 3.55 | H.Bond | A | No SSE | 95 | GLY | CA | C3D | A | 1278 | 3.33 | van der Waals | A | No SSE | 95 | GLY | CA | O3D | A | 1278 | 3.47 | van der Waals | A | No SSE | 95 | GLY | C | C3D | A | 1278 | 3.5 | van der Waals | A | No SSE | 95 | GLY | O | C5B | A | 1278 | 3.65 | van der Waals | A | No SSE | 95 | GLY | O | C5D | A | 1278 | 3.4 | van der Waals | A | No SSE | 95 | GLY | O | C4D | A | 1278 | 3.99 | van der Waals | A | No SSE | 95 | GLY | O | C3D | A | 1278 | 3.48 | van der Waals | A | 108-120 H: 1 | 118 | LEU | CD1 | N7A | A | 1278 | 3.65 | H.Bond | A | 108-120 H: 1 | 118 | LEU | CD1 | C5A | A | 1278 | 3.74 | van der Waals | A | 108-120 H: 1 | 118 | LEU | CD1 | C6A | A | 1278 | 3.81 | van der Waals | A | 108-120 H: 1 | 118 | LEU | CD1 | N6A | A | 1278 | 3.71 | H.Bond | A | 108-120 H: 1 | 118 | LEU | CD2 | N7A | A | 1278 | 3.67 | H.Bond | A | 140-144 S: 1 | 144 | VAL | O | O3D | A | 1278 | 3.79 | H.Bond | A | 140-144 S: 1 | 144 | VAL | CG1 | O4D | A | 1278 | 3.84 | van der Waals | A | 140-144 S: 1 | 144 | VAL | CG1 | C1D | A | 1278 | 3.73 | van der Waals | A | No SSE | 145 | SER | O | C1D | A | 1278 | 3.95 | van der Waals | A | No SSE | 145 | SER | O | N1N | A | 1278 | 3.87 | H.Bond | A | No SSE | 145 | SER | O | C5N | A | 1278 | 3.84 | van der Waals | A | No SSE | 145 | SER | O | C6N | A | 1278 | 2.94 | van der Waals | A | 146-150 H: 5 | 146 | SER | CA | C5N | A | 1278 | 3.96 | van der Waals | A | 146-150 H: 5 | 146 | SER | CA | C6N | A | 1278 | 3.99 | van der Waals | A | 146-150 H: 5 | 146 | SER | CB | C5N | A | 1278 | 3.47 | van der Waals | A | 146-150 H: 5 | 146 | SER | CB | C6N | A | 1278 | 3.48 | van der Waals | A | 146-150 H: 5 | 146 | SER | OG | C5N | A | 1278 | 3.28 | van der Waals | A | 146-150 H: 5 | 146 | SER | OG | C6N | A | 1278 | 3.8 | van der Waals | A | 157-179 H: 1 | 160 | TYR | CE1 | O2D | A | 1278 | 3.82 | van der Waals | A | 157-179 H: 1 | 160 | TYR | CZ | O2D | A | 1278 | 3.76 | van der Waals | A | 157-179 H: 1 | 160 | TYR | OH | C2D | A | 1278 | 3.78 | van der Waals | A | 157-179 H: 1 | 160 | TYR | OH | O2D | A | 1278 | 2.83 | H.Bond | A | 157-179 H: 1 | 160 | TYR | OH | C6N | A | 1278 | 3.95 | van der Waals | A | 157-179 H: 1 | 164 | LYS | CE | O2D | A | 1278 | 3.89 | van der Waals | A | 157-179 H: 1 | 164 | LYS | NZ | O3D | A | 1278 | 3.6 | H.Bond | A | 157-179 H: 1 | 164 | LYS | NZ | C2D | A | 1278 | 3.75 | H.Bond | A | 157-179 H: 1 | 164 | LYS | NZ | O2D | A | 1278 | 2.62 | H.Bond | A | 184-190 S: 1 | 190 | PRO | C | C5N | A | 1278 | 3.9 | van der Waals | A | 184-190 S: 1 | 190 | PRO | O | C4N | A | 1278 | 3.94 | van der Waals | A | 184-190 S: 1 | 190 | PRO | O | C5N | A | 1278 | 3.4 | van der Waals | A | 184-190 S: 1 | 190 | PRO | CB | C5N | A | 1278 | 3.8 | van der Waals | A | 184-190 S: 1 | 190 | PRO | CD | C6N | A | 1278 | 3.79 | van der Waals | A | No SSE | 191 | GLY | O | C3N | A | 1278 | 3.81 | van der Waals | A | No SSE | 191 | GLY | O | C7N | A | 1278 | 3.95 | van der Waals | A | No SSE | 191 | GLY | O | O7N | A | 1278 | 3.32 | H.Bond | A | No SSE | 191 | GLY | O | C4N | A | 1278 | 2.91 | van der Waals | A | No SSE | 191 | GLY | O | C5N | A | 1278 | 3.72 | van der Waals | A | No SSE | 192 | ALA | CA | O7N | A | 1278 | 3.66 | van der Waals | A | No SSE | 192 | ALA | C | O7N | A | 1278 | 3.76 | van der Waals | A | No SSE | 193 | VAL | N | C7N | A | 1278 | 3.81 | H.Bond | A | No SSE | 193 | VAL | N | O7N | A | 1278 | 2.99 | H.Bond | A | No SSE | 193 | VAL | CA | O7N | A | 1278 | 3.9 | van der Waals | A | No SSE | 193 | VAL | O | C7N | A | 1278 | 3.65 | van der Waals | A | No SSE | 193 | VAL | O | O7N | A | 1278 | 3.47 | H.Bond | A | No SSE | 193 | VAL | O | N7N | A | 1278 | 3.27 | H.Bond | A | No SSE | 193 | VAL | CG1 | C3N | A | 1278 | 3.78 | van der Waals | A | No SSE | 193 | VAL | CG1 | C7N | A | 1278 | 3.36 | van der Waals | A | No SSE | 193 | VAL | CG1 | O7N | A | 1278 | 3.36 | van der Waals | A | No SSE | 193 | VAL | CG1 | N7N | A | 1278 | 3.81 | H.Bond | A | No SSE | 195 | THR | CB | O1A | A | 1278 | 3.58 | van der Waals | A | No SSE | 195 | THR | CB | PN | A | 1278 | 3.8 | | A | No SSE | 195 | THR | CB | O2N | A | 1278 | 3.72 | van der Waals | A | No SSE | 195 | THR | OG1 | O1A | A | 1278 | 2.63 | H.Bond | A | No SSE | 195 | THR | OG1 | O3 | A | 1278 | 3.89 | H.Bond | A | No SSE | 195 | THR | OG1 | PN | A | 1278 | 3.39 | | A | No SSE | 195 | THR | OG1 | O2N | A | 1278 | 2.92 | H.Bond | A | No SSE | 195 | THR | CG2 | O1A | A | 1278 | 3.45 | van der Waals | A | No SSE | 195 | THR | CG2 | O3 | A | 1278 | 3.7 | van der Waals | A | No SSE | 195 | THR | CG2 | PN | A | 1278 | 3.27 | | A | No SSE | 195 | THR | CG2 | O1N | A | 1278 | 3.83 | van der Waals | A | No SSE | 195 | THR | CG2 | O2N | A | 1278 | 3.78 | van der Waals | A | No SSE | 195 | THR | CG2 | N7N | A | 1278 | 3.08 | H.Bond | A | 196-201 H: 1 | 196 | GLY | N | PA | A | 1278 | 3.99 | | A | 196-201 H: 1 | 196 | GLY | N | O1A | A | 1278 | 3.03 | H.Bond | A | 196-201 H: 1 | 196 | GLY | CA | O1A | A | 1278 | 3.53 | van der Waals | A | 196-201 H: 1 | 196 | GLY | C | PA | A | 1278 | 3.71 | | A | 196-201 H: 1 | 196 | GLY | C | O1A | A | 1278 | 3.67 | van der Waals | A | 196-201 H: 1 | 196 | GLY | C | O2A | A | 1278 | 3.43 | van der Waals | A | 196-201 H: 1 | 196 | GLY | O | O2A | A | 1278 | 3.65 | H.Bond | A | 196-201 H: 1 | 197 | PHE | N | PA | A | 1278 | 3.58 | | A | 196-201 H: 1 | 197 | PHE | N | O1A | A | 1278 | 3.52 | H.Bond | A | 196-201 H: 1 | 197 | PHE | N | O2A | A | 1278 | 3.12 | H.Bond | A | 196-201 H: 1 | 197 | PHE | N | O3 | A | 1278 | 3.9 | H.Bond | A | 196-201 H: 1 | 197 | PHE | CA | O2A | A | 1278 | 3.05 | van der Waals | A | 196-201 H: 1 | 197 | PHE | CB | O2A | A | 1278 | 3.72 | van der Waals | A | 196-201 H: 1 | 197 | PHE | CB | N7N | A | 1278 | 3.16 | H.Bond | A | 196-201 H: 1 | 197 | PHE | CG | N7N | A | 1278 | 3.49 | H.Bond | A | 196-201 H: 1 | 197 | PHE | CD1 | O2A | A | 1278 | 3.97 | van der Waals | A | 196-201 H: 1 | 197 | PHE | CD1 | C2N | A | 1278 | 3.93 | van der Waals | A | 196-201 H: 1 | 197 | PHE | CD1 | N7N | A | 1278 | 3.8 | H.Bond | A | 196-201 H: 1 | 197 | PHE | CE1 | C2D | A | 1278 | 3.95 | van der Waals | A | Water | 1291 | HOH | O | O5B | A | 1278 | 3.45 | H.Bond | A | Water | 1291 | HOH | O | C4B | A | 1278 | 3.68 | van der Waals | A | Water | 1291 | HOH | O | PN | A | 1278 | 3.71 | | A | Water | 1291 | HOH | O | O2N | A | 1278 | 2.85 | H.Bond | A | Water | 1291 | HOH | O | O5D | A | 1278 | 2.87 | H.Bond | A | Water | 1291 | HOH | O | C5D | A | 1278 | 3.94 | van der Waals | A | Water | 1316 | HOH | O | C2A | A | 1278 | 3.13 | van der Waals | A | Water | 1316 | HOH | O | N3A | A | 1278 | 2.84 | H.Bond | A | Water | 1316 | HOH | O | C4A | A | 1278 | 3.99 | van der Waals | A | Water | 1322 | HOH | O | PA | A | 1278 | 3.76 | | A | Water | 1322 | HOH | O | O2A | A | 1278 | 2.55 | H.Bond | A | Water | 1322 | HOH | O | C5B | A | 1278 | 3.47 | van der Waals | A | Water | 1322 | HOH | O | O3 | A | 1278 | 3.84 | H.Bond | A | Water | 1323 | HOH | O | C8A | A | 1278 | 3.94 | van der Waals | A | Water | 1323 | HOH | O | N7A | A | 1278 | 3.1 | H.Bond | A | Water | 1325 | HOH | O | P2B | A | 1278 | 3.94 | | A | Water | 1325 | HOH | O | O2X | A | 1278 | 2.51 | H.Bond | A | Water | 1355 | HOH | O | C5B | A | 1278 | 3.71 | van der Waals | A | Water | 1355 | HOH | O | C8A | A | 1278 | 3.22 | van der Waals | A | Water | 1355 | HOH | O | N7A | A | 1278 | 3.89 | H.Bond | A | Water | 1356 | HOH | O | N6A | A | 1278 | 3.14 | H.Bond | A | Water | 1358 | HOH | O | PA | A | 1278 | 3.39 | | A | Water | 1358 | HOH | O | O2A | A | 1278 | 3.6 | H.Bond | A | Water | 1358 | HOH | O | O5B | A | 1278 | 3.9 | H.Bond | A | Water | 1360 | HOH | O | O3D | A | 1278 | 3.68 | H.Bond | A | Water | 1387 | HOH | O | C2A | A | 1278 | 3.54 | van der Waals | |
| 2 / B |
> Structure: LLLHSLHLLLLLLHSLHHSLLLLH
+11w
> Sequence: GSSNGIGRNRADVNAGLVSSYKPGAVTGF
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NDP /(2278) |
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> Graphics rep1:
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> Graphics rep2:
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Protein Chain | Prot SSE | Res Nbr | Res Name | RsAt.Name | LgAt.Name |
Lg Chain | Lg Nbr | Bnd Len | Bnd Type |
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B | No SSE | 13 | GLY | CA | C4B | B | 2278 | 3.85 | van der Waals | B | No SSE | 13 | GLY | CA | O4B | B | 2278 | 3.45 | van der Waals | B | No SSE | 13 | GLY | CA | C3B | B | 2278 | 3.87 | van der Waals | B | No SSE | 13 | GLY | CA | O3B | B | 2278 | 3.08 | van der Waals | B | No SSE | 13 | GLY | CA | C1B | B | 2278 | 3.67 | van der Waals | B | No SSE | 13 | GLY | C | O3B | B | 2278 | 2.86 | van der Waals | B | No SSE | 13 | GLY | O | C4B | B | 2278 | 3.82 | van der Waals | B | No SSE | 13 | GLY | O | C3B | B | 2278 | 3.87 | van der Waals | B | No SSE | 13 | GLY | O | O3B | B | 2278 | 2.86 | H.Bond | B | No SSE | 14 | SER | N | O3B | B | 2278 | 3.55 | H.Bond | B | No SSE | 15 | SER | N | O3B | B | 2278 | 3.22 | H.Bond | B | No SSE | 15 | SER | CA | O3B | B | 2278 | 3.87 | van der Waals | B | No SSE | 15 | SER | C | O3B | B | 2278 | 3.87 | van der Waals | B | No SSE | 15 | SER | CB | O3B | B | 2278 | 3.95 | van der Waals | B | No SSE | 15 | SER | OG | C3B | B | 2278 | 3.59 | van der Waals | B | No SSE | 15 | SER | OG | O3B | B | 2278 | 3.01 | H.Bond | B | No SSE | 15 | SER | OG | C2B | B | 2278 | 3.84 | van der Waals | B | No SSE | 15 | SER | OG | O2B | B | 2278 | 3.06 | H.Bond | B | No SSE | 15 | SER | OG | P2B | B | 2278 | 2.99 | | B | No SSE | 15 | SER | OG | O1X | B | 2278 | 3.15 | H.Bond | B | 16-29 H: 1 | 16 | ASN | N | O3B | B | 2278 | 3.45 | H.Bond | B | 16-29 H: 1 | 17 | GLY | N | O1A | B | 2278 | 3.6 | H.Bond | B | 16-29 H: 1 | 17 | GLY | CA | O1A | B | 2278 | 3.59 | van der Waals | B | 16-29 H: 1 | 17 | GLY | CA | O2N | B | 2278 | 3.17 | van der Waals | B | 16-29 H: 1 | 17 | GLY | C | O2N | B | 2278 | 3.45 | van der Waals | B | 16-29 H: 1 | 18 | ILE | N | O2N | B | 2278 | 2.78 | H.Bond | B | 16-29 H: 1 | 18 | ILE | CA | O2N | B | 2278 | 3.82 | van der Waals | B | 16-29 H: 1 | 18 | ILE | CB | O2N | B | 2278 | 3.73 | van der Waals | B | 16-29 H: 1 | 18 | ILE | CG1 | O1N | B | 2278 | 3.88 | van der Waals | B | 16-29 H: 1 | 18 | ILE | CG1 | O2N | B | 2278 | 3.51 | van der Waals | B | 16-29 H: 1 | 18 | ILE | CD1 | O1N | B | 2278 | 3.46 | van der Waals | B | 16-29 H: 1 | 18 | ILE | CD1 | O4D | B | 2278 | 3.67 | van der Waals | B | 32-37 S: 1 | 37 | GLY | CA | O1X | B | 2278 | 3.92 | van der Waals | B | 32-37 S: 1 | 37 | GLY | C | O1X | B | 2278 | 3.69 | van der Waals | B | No SSE | 38 | ARG | N | P2B | B | 2278 | 3.78 | | B | No SSE | 38 | ARG | N | O1X | B | 2278 | 2.67 | H.Bond | B | No SSE | 38 | ARG | N | O3X | B | 2278 | 3.6 | H.Bond | B | No SSE | 38 | ARG | CA | O1X | B | 2278 | 3.32 | van der Waals | B | No SSE | 38 | ARG | C | O1X | B | 2278 | 3.36 | van der Waals | B | No SSE | 38 | ARG | CB | O1X | B | 2278 | 3.56 | van der Waals | B | No SSE | 38 | ARG | CB | O3X | B | 2278 | 3.65 | van der Waals | B | No SSE | 38 | ARG | CG | N1A | B | 2278 | 3.84 | H.Bond | B | No SSE | 38 | ARG | CG | C2A | B | 2278 | 3.79 | van der Waals | B | No SSE | 38 | ARG | CD | C6A | B | 2278 | 3.75 | van der Waals | B | No SSE | 38 | ARG | CD | N1A | B | 2278 | 3.53 | H.Bond | B | No SSE | 38 | ARG | CD | C2A | B | 2278 | 3.94 | van der Waals | B | No SSE | 38 | ARG | NE | C5A | B | 2278 | 3.66 | H.Bond | B | No SSE | 38 | ARG | NE | C6A | B | 2278 | 3.55 | H.Bond | B | No SSE | 38 | ARG | NE | N1A | B | 2278 | 3.74 | H.Bond | B | No SSE | 38 | ARG | NE | C4A | B | 2278 | 3.93 | H.Bond | B | No SSE | 38 | ARG | NE | O3X | B | 2278 | 3.03 | H.Bond | B | No SSE | 38 | ARG | CZ | N7A | B | 2278 | 3.77 | H.Bond | B | No SSE | 38 | ARG | CZ | C5A | B | 2278 | 3.56 | van der Waals | B | No SSE | 38 | ARG | CZ | C6A | B | 2278 | 3.58 | van der Waals | B | No SSE | 38 | ARG | CZ | N6A | B | 2278 | 3.75 | H.Bond | B | No SSE | 38 | ARG | CZ | O3X | B | 2278 | 3.61 | van der Waals | B | No SSE | 38 | ARG | NH1 | C6A | B | 2278 | 3.75 | H.Bond | B | No SSE | 38 | ARG | NH1 | N6A | B | 2278 | 3.42 | H.Bond | B | No SSE | 38 | ARG | NH2 | C8A | B | 2278 | 3.79 | H.Bond | B | No SSE | 38 | ARG | NH2 | N7A | B | 2278 | 3.42 | H.Bond | B | No SSE | 38 | ARG | NH2 | C5A | B | 2278 | 3.65 | H.Bond | B | No SSE | 38 | ARG | NH2 | O3X | B | 2278 | 3.29 | H.Bond | B | 39-53 H: 1 | 39 | ASN | N | P2B | B | 2278 | 3.97 | | B | 39-53 H: 1 | 39 | ASN | N | O1X | B | 2278 | 2.52 | H.Bond | B | 39-53 H: 1 | 39 | ASN | CA | O1X | B | 2278 | 3.46 | van der Waals | B | 39-53 H: 1 | 39 | ASN | CB | O1X | B | 2278 | 3.29 | van der Waals | B | 39-53 H: 1 | 42 | ARG | CZ | P2B | B | 2278 | 3.98 | | B | 39-53 H: 1 | 42 | ARG | CZ | O2X | B | 2278 | 3.4 | van der Waals | B | 39-53 H: 1 | 42 | ARG | NH1 | P2B | B | 2278 | 3.73 | | B | 39-53 H: 1 | 42 | ARG | NH1 | O2X | B | 2278 | 2.89 | H.Bond | B | 39-53 H: 1 | 42 | ARG | NH2 | P2B | B | 2278 | 3.33 | | B | 39-53 H: 1 | 42 | ARG | NH2 | O1X | B | 2278 | 3.84 | H.Bond | B | 39-53 H: 1 | 42 | ARG | NH2 | O2X | B | 2278 | 3.05 | H.Bond | B | No SSE | 65 | ALA | O | C2A | B | 2278 | 3.66 | van der Waals | B | No SSE | 66 | ASP | CA | N1A | B | 2278 | 3.56 | H.Bond | B | No SSE | 66 | ASP | C | N1A | B | 2278 | 3.73 | H.Bond | B | No SSE | 66 | ASP | CG | N6A | B | 2278 | 3.93 | H.Bond | B | No SSE | 66 | ASP | CG | N1A | B | 2278 | 3.95 | H.Bond | B | No SSE | 66 | ASP | OD2 | C6A | B | 2278 | 3.53 | van der Waals | B | No SSE | 66 | ASP | OD2 | N6A | B | 2278 | 2.97 | H.Bond | B | No SSE | 66 | ASP | OD2 | N1A | B | 2278 | 3.08 | H.Bond | B | No SSE | 67 | VAL | N | N1A | B | 2278 | 3.02 | H.Bond | B | No SSE | 67 | VAL | N | C2A | B | 2278 | 3.32 | H.Bond | B | No SSE | 67 | VAL | CA | N1A | B | 2278 | 3.99 | H.Bond | B | No SSE | 67 | VAL | CB | N1A | B | 2278 | 3.9 | H.Bond | B | No SSE | 67 | VAL | CB | C2A | B | 2278 | 3.83 | van der Waals | B | No SSE | 67 | VAL | CG1 | C6A | B | 2278 | 3.79 | van der Waals | B | No SSE | 67 | VAL | CG1 | N1A | B | 2278 | 3.39 | H.Bond | B | No SSE | 67 | VAL | CG1 | C2A | B | 2278 | 3.63 | van der Waals | B | No SSE | 93 | ASN | C | O3D | B | 2278 | 3.57 | van der Waals | B | No SSE | 93 | ASN | O | C4D | B | 2278 | 3.14 | van der Waals | B | No SSE | 93 | ASN | O | C3D | B | 2278 | 3.15 | van der Waals | B | No SSE | 93 | ASN | O | O3D | B | 2278 | 2.49 | H.Bond | B | No SSE | 93 | ASN | OD1 | C4D | B | 2278 | 3.85 | van der Waals | B | No SSE | 94 | ALA | CA | O4B | B | 2278 | 3.56 | van der Waals | B | No SSE | 94 | ALA | C | O3D | B | 2278 | 3.75 | van der Waals | B | No SSE | 94 | ALA | O | O3D | B | 2278 | 3.76 | H.Bond | B | No SSE | 94 | ALA | CB | O4B | B | 2278 | 3.87 | van der Waals | B | No SSE | 95 | GLY | N | O4B | B | 2278 | 3.7 | H.Bond | B | No SSE | 95 | GLY | N | C3D | B | 2278 | 3.6 | H.Bond | B | No SSE | 95 | GLY | N | O3D | B | 2278 | 3.67 | H.Bond | B | No SSE | 95 | GLY | CA | C3D | B | 2278 | 3.43 | van der Waals | B | No SSE | 95 | GLY | CA | O3D | B | 2278 | 3.62 | van der Waals | B | No SSE | 95 | GLY | C | C3D | B | 2278 | 3.6 | van der Waals | B | No SSE | 95 | GLY | O | C5B | B | 2278 | 3.76 | van der Waals | B | No SSE | 95 | GLY | O | C5D | B | 2278 | 3.51 | van der Waals | B | No SSE | 95 | GLY | O | C3D | B | 2278 | 3.61 | van der Waals | B | 108-120 H: 1 | 118 | LEU | CD1 | N7A | B | 2278 | 3.61 | H.Bond | B | 108-120 H: 1 | 118 | LEU | CD1 | C5A | B | 2278 | 3.71 | van der Waals | B | 108-120 H: 1 | 118 | LEU | CD1 | C6A | B | 2278 | 3.83 | van der Waals | B | 108-120 H: 1 | 118 | LEU | CD1 | N6A | B | 2278 | 3.8 | H.Bond | B | 108-120 H: 1 | 118 | LEU | CD2 | N7A | B | 2278 | 3.44 | H.Bond | B | 140-144 S: 1 | 144 | VAL | O | O3D | B | 2278 | 3.54 | H.Bond | B | 140-144 S: 1 | 144 | VAL | CG1 | O4D | B | 2278 | 3.92 | van der Waals | B | 140-144 S: 1 | 144 | VAL | CG1 | C1D | B | 2278 | 3.85 | van der Waals | B | No SSE | 145 | SER | O | N1N | B | 2278 | 3.92 | H.Bond | B | No SSE | 145 | SER | O | C5N | B | 2278 | 3.89 | van der Waals | B | No SSE | 145 | SER | O | C6N | B | 2278 | 2.98 | van der Waals | B | 146-150 H: 5 | 146 | SER | CB | C5N | B | 2278 | 3.46 | van der Waals | B | 146-150 H: 5 | 146 | SER | CB | C6N | B | 2278 | 3.46 | van der Waals | B | 146-150 H: 5 | 146 | SER | OG | C5N | B | 2278 | 3.31 | van der Waals | B | 146-150 H: 5 | 146 | SER | OG | C6N | B | 2278 | 3.81 | van der Waals | B | 157-179 H: 1 | 160 | TYR | CE1 | O2D | B | 2278 | 3.84 | van der Waals | B | 157-179 H: 1 | 160 | TYR | CZ | O2D | B | 2278 | 3.71 | van der Waals | B | 157-179 H: 1 | 160 | TYR | OH | C2D | B | 2278 | 3.7 | van der Waals | B | 157-179 H: 1 | 160 | TYR | OH | O2D | B | 2278 | 2.71 | H.Bond | B | 157-179 H: 1 | 164 | LYS | CE | O2D | B | 2278 | 2.97 | van der Waals | B | 157-179 H: 1 | 164 | LYS | NZ | O3D | B | 2278 | 3.31 | H.Bond | B | 157-179 H: 1 | 164 | LYS | NZ | C2D | B | 2278 | 3.83 | H.Bond | B | 157-179 H: 1 | 164 | LYS | NZ | O2D | B | 2278 | 2.85 | H.Bond | B | 184-190 S: 1 | 190 | PRO | C | C5N | B | 2278 | 3.88 | van der Waals | B | 184-190 S: 1 | 190 | PRO | O | C4N | B | 2278 | 3.89 | van der Waals | B | 184-190 S: 1 | 190 | PRO | O | C5N | B | 2278 | 3.39 | van der Waals | B | 184-190 S: 1 | 190 | PRO | CB | C4N | B | 2278 | 3.99 | van der Waals | B | 184-190 S: 1 | 190 | PRO | CB | C5N | B | 2278 | 3.66 | van der Waals | B | 184-190 S: 1 | 190 | PRO | CG | C6N | B | 2278 | 3.93 | van der Waals | B | 184-190 S: 1 | 190 | PRO | CD | C5N | B | 2278 | 3.97 | van der Waals | B | 184-190 S: 1 | 190 | PRO | CD | C6N | B | 2278 | 3.77 | van der Waals | B | No SSE | 191 | GLY | O | C3N | B | 2278 | 3.84 | van der Waals | B | No SSE | 191 | GLY | O | C7N | B | 2278 | 3.99 | van der Waals | B | No SSE | 191 | GLY | O | O7N | B | 2278 | 3.36 | H.Bond | B | No SSE | 191 | GLY | O | C4N | B | 2278 | 2.94 | van der Waals | B | No SSE | 191 | GLY | O | C5N | B | 2278 | 3.75 | van der Waals | B | No SSE | 192 | ALA | CA | O7N | B | 2278 | 3.54 | van der Waals | B | No SSE | 192 | ALA | C | O7N | B | 2278 | 3.58 | van der Waals | B | No SSE | 193 | VAL | N | C7N | B | 2278 | 3.57 | H.Bond | B | No SSE | 193 | VAL | N | O7N | B | 2278 | 2.77 | H.Bond | B | No SSE | 193 | VAL | CA | O7N | B | 2278 | 3.66 | van der Waals | B | No SSE | 193 | VAL | O | C7N | B | 2278 | 3.64 | van der Waals | B | No SSE | 193 | VAL | O | O7N | B | 2278 | 3.47 | H.Bond | B | No SSE | 193 | VAL | O | N7N | B | 2278 | 3.22 | H.Bond | B | No SSE | 193 | VAL | CB | C7N | B | 2278 | 3.79 | van der Waals | B | No SSE | 193 | VAL | CB | O7N | B | 2278 | 3.78 | van der Waals | B | No SSE | 193 | VAL | CB | N7N | B | 2278 | 3.89 | H.Bond | B | No SSE | 195 | THR | CB | O1A | B | 2278 | 3.28 | van der Waals | B | No SSE | 195 | THR | CB | PN | B | 2278 | 3.63 | | B | No SSE | 195 | THR | CB | O2N | B | 2278 | 3.42 | van der Waals | B | No SSE | 195 | THR | OG1 | O1A | B | 2278 | 3.18 | H.Bond | B | No SSE | 195 | THR | OG1 | O3 | B | 2278 | 3.52 | H.Bond | B | No SSE | 195 | THR | OG1 | PN | B | 2278 | 3.06 | | B | No SSE | 195 | THR | OG1 | O1N | B | 2278 | 3.74 | H.Bond | B | No SSE | 195 | THR | OG1 | O2N | B | 2278 | 3.45 | H.Bond | B | No SSE | 195 | THR | OG1 | N7N | B | 2278 | 3.29 | H.Bond | B | No SSE | 195 | THR | CG2 | PN | B | 2278 | 3.84 | | B | No SSE | 195 | THR | CG2 | O2N | B | 2278 | 3.37 | van der Waals | B | 196-201 H: 1 | 196 | GLY | N | PA | B | 2278 | 3.94 | | B | 196-201 H: 1 | 196 | GLY | N | O1A | B | 2278 | 3.05 | H.Bond | B | 196-201 H: 1 | 196 | GLY | CA | O1A | B | 2278 | 3.65 | van der Waals | B | 196-201 H: 1 | 196 | GLY | C | PA | B | 2278 | 3.79 | | B | 196-201 H: 1 | 196 | GLY | C | O1A | B | 2278 | 3.8 | van der Waals | B | 196-201 H: 1 | 196 | GLY | C | O2A | B | 2278 | 3.44 | van der Waals | B | 196-201 H: 1 | 196 | GLY | O | O2A | B | 2278 | 3.67 | H.Bond | B | 196-201 H: 1 | 197 | PHE | N | PA | B | 2278 | 3.66 | | B | 196-201 H: 1 | 197 | PHE | N | O1A | B | 2278 | 3.63 | H.Bond | B | 196-201 H: 1 | 197 | PHE | N | O2A | B | 2278 | 3.17 | H.Bond | B | 196-201 H: 1 | 197 | PHE | N | O3 | B | 2278 | 3.98 | H.Bond | B | 196-201 H: 1 | 197 | PHE | CA | O2A | B | 2278 | 3.15 | van der Waals | B | 196-201 H: 1 | 197 | PHE | CB | O2A | B | 2278 | 3.83 | van der Waals | B | 196-201 H: 1 | 197 | PHE | CB | N7N | B | 2278 | 3.22 | H.Bond | B | 196-201 H: 1 | 197 | PHE | CG | N7N | B | 2278 | 3.46 | H.Bond | B | 196-201 H: 1 | 197 | PHE | CD1 | N7N | B | 2278 | 3.79 | H.Bond | B | Water | 2282 | HOH | O | O5B | B | 2278 | 3.2 | H.Bond | B | Water | 2282 | HOH | O | C5B | B | 2278 | 3.98 | van der Waals | B | Water | 2282 | HOH | O | C4B | B | 2278 | 3.61 | van der Waals | B | Water | 2282 | HOH | O | O3 | B | 2278 | 3.9 | H.Bond | B | Water | 2282 | HOH | O | PN | B | 2278 | 3.73 | | B | Water | 2282 | HOH | O | O2N | B | 2278 | 2.98 | H.Bond | B | Water | 2282 | HOH | O | O5D | B | 2278 | 2.82 | H.Bond | B | Water | 2282 | HOH | O | C5D | B | 2278 | 3.85 | van der Waals | B | Water | 2291 | HOH | O | C2A | B | 2278 | 3.29 | van der Waals | B | Water | 2291 | HOH | O | N3A | B | 2278 | 3.04 | H.Bond | B | Water | 2311 | HOH | O | C8A | B | 2278 | 3.87 | van der Waals | B | Water | 2311 | HOH | O | N7A | B | 2278 | 2.94 | H.Bond | B | Water | 2311 | HOH | O | C5A | B | 2278 | 3.81 | van der Waals | B | Water | 2311 | HOH | O | N6A | B | 2278 | 3.77 | H.Bond | B | Water | 2317 | HOH | O | O2X | B | 2278 | 2.56 | H.Bond | B | Water | 2332 | HOH | O | PA | B | 2278 | 3.3 | | B | Water | 2332 | HOH | O | O2A | B | 2278 | 3.4 | H.Bond | B | Water | 2332 | HOH | O | O5B | B | 2278 | 3.84 | H.Bond | B | Water | 2336 | HOH | O | P2B | B | 2278 | 3.98 | | B | Water | 2336 | HOH | O | O1X | B | 2278 | 3.84 | H.Bond | B | Water | 2336 | HOH | O | O2X | B | 2278 | 3.51 | H.Bond | B | Water | 2336 | HOH | O | O3X | B | 2278 | 3.34 | H.Bond | B | Water | 2348 | HOH | O | O3D | B | 2278 | 3.77 | H.Bond | B | Water | 2354 | HOH | O | C2A | B | 2278 | 3.6 | van der Waals | B | Water | 2360 | HOH | O | C5B | B | 2278 | 3.95 | van der Waals | B | Water | 2360 | HOH | O | C8A | B | 2278 | 3.37 | van der Waals | B | Water | 2360 | HOH | O | N7A | B | 2278 | 3.98 | H.Bond | B | Water | 2385 | HOH | O | PA | B | 2278 | 3.86 | | B | Water | 2385 | HOH | O | O2A | B | 2278 | 2.59 | H.Bond | B | Water | 2385 | HOH | O | C5B | B | 2278 | 3.65 | van der Waals | B | Water | 2385 | HOH | O | O3 | B | 2278 | 3.87 | H.Bond | B | Water | 2393 | HOH | O | C3N | B | 2278 | 3.89 | van der Waals | B | Water | 2393 | HOH | O | C4N | B | 2278 | 3.3 | van der Waals | B | Water | 2393 | HOH | O | C5N | B | 2278 | 3.23 | van der Waals | B | Water | 2393 | HOH | O | C6N | B | 2278 | 3.79 | van der Waals | |
Nbr of Motifs per PDB entry | PDB Entry | Title | Determination Method | Resolution | R-Factor |
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1 | 1N5D | CRYSTAL STRUCTURE OF PORCINE TESTICULAR CARBONYL REDUCTASE/ 20BETA-HYDROXYSTEROID DEHYDROGENASE | X-RAY | 2.30 | 0.194
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| Motif No./Chain | Motif | Bound Ligand /(Nbr. in PDB) | Show Details |
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| 1 / A |
> Structure: LLHLHLLLLLLLLSLLHSLLLLLLLL
+7w
> Sequence: GNKGIRRLDIINAAIVSSYKCPGWVTDMG
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NDP /(300) |
[+] |
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> Graphics rep1:
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[+] |
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> Graphics rep2:
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[+] |
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Protein Chain | Prot SSE | Res Nbr | Res Name | RsAt.Name | LgAt.Name |
Lg Chain | Lg Nbr | Bnd Len | Bnd Type |
---|
A | No SSE | 11 | GLY | CA | O4B | A | 300 | 3.7 | van der Waals | A | No SSE | 11 | GLY | CA | O3B | A | 300 | 3.67 | van der Waals | A | No SSE | 11 | GLY | CA | C1B | A | 300 | 3.68 | van der Waals | A | No SSE | 11 | GLY | CA | N3A | A | 300 | 3.85 | H.Bond | A | No SSE | 11 | GLY | C | O3B | A | 300 | 3.49 | van der Waals | A | No SSE | 11 | GLY | O | C4B | A | 300 | 3.71 | van der Waals | A | No SSE | 11 | GLY | O | O3B | A | 300 | 3.44 | H.Bond | A | No SSE | 13 | ASN | CG | O3B | A | 300 | 3.49 | van der Waals | A | No SSE | 13 | ASN | CG | O3X | A | 300 | 3.51 | van der Waals | A | No SSE | 13 | ASN | OD1 | C3B | A | 300 | 3.98 | van der Waals | A | No SSE | 13 | ASN | OD1 | O3B | A | 300 | 2.76 | H.Bond | A | No SSE | 13 | ASN | OD1 | O2B | A | 300 | 3.73 | H.Bond | A | No SSE | 13 | ASN | OD1 | P2B | A | 300 | 3.9 | | A | No SSE | 13 | ASN | OD1 | O2X | A | 300 | 3.99 | H.Bond | A | No SSE | 13 | ASN | OD1 | O3X | A | 300 | 3.37 | H.Bond | A | No SSE | 13 | ASN | ND2 | O3B | A | 300 | 3.8 | H.Bond | A | No SSE | 13 | ASN | ND2 | O3X | A | 300 | 2.82 | H.Bond | A | 14-28 H: 1 | 14 | LYS | CG | O3B | A | 300 | 3.75 | van der Waals | A | 14-28 H: 1 | 14 | LYS | CG | O3X | A | 300 | 3.85 | van der Waals | A | 14-28 H: 1 | 14 | LYS | CD | O3X | A | 300 | 3.67 | van der Waals | A | 14-28 H: 1 | 14 | LYS | CE | O1A | A | 300 | 3.91 | van der Waals | A | 14-28 H: 1 | 14 | LYS | CE | O5B | A | 300 | 3.77 | van der Waals | A | 14-28 H: 1 | 14 | LYS | CE | C3B | A | 300 | 3.84 | van der Waals | A | 14-28 H: 1 | 14 | LYS | CE | O3X | A | 300 | 3.09 | van der Waals | A | 14-28 H: 1 | 14 | LYS | NZ | O3X | A | 300 | 3.87 | H.Bond | A | 14-28 H: 1 | 15 | GLY | CA | O1A | A | 300 | 3.94 | van der Waals | A | 14-28 H: 1 | 15 | GLY | CA | O2N | A | 300 | 3.55 | van der Waals | A | 14-28 H: 1 | 15 | GLY | C | O2N | A | 300 | 3.65 | van der Waals | A | 14-28 H: 1 | 16 | ILE | N | O2N | A | 300 | 2.82 | H.Bond | A | 14-28 H: 1 | 16 | ILE | CA | O2N | A | 300 | 3.7 | van der Waals | A | 14-28 H: 1 | 16 | ILE | CB | O2N | A | 300 | 3.43 | van der Waals | A | 14-28 H: 1 | 16 | ILE | CG1 | O2N | A | 300 | 3.22 | van der Waals | A | 14-28 H: 1 | 16 | ILE | CD1 | PN | A | 300 | 3.97 | | A | 14-28 H: 1 | 16 | ILE | CD1 | O2N | A | 300 | 3.66 | van der Waals | A | 14-28 H: 1 | 16 | ILE | CD1 | O5D | A | 300 | 3.66 | van der Waals | A | 14-28 H: 1 | 16 | ILE | CD1 | O4D | A | 300 | 3.6 | van der Waals | A | 14-28 H: 1 | 16 | ILE | CD1 | C2N | A | 300 | 3.66 | van der Waals | A | No SSE | 37 | ARG | CB | C2A | A | 300 | 3.87 | van der Waals | A | No SSE | 37 | ARG | CG | O2X | A | 300 | 3.76 | van der Waals | A | No SSE | 37 | ARG | CD | C5A | A | 300 | 3.99 | van der Waals | A | No SSE | 37 | ARG | CD | C6A | A | 300 | 3.93 | van der Waals | A | No SSE | 37 | ARG | NE | O2B | A | 300 | 3.46 | H.Bond | A | No SSE | 37 | ARG | NE | C5A | A | 300 | 3.85 | H.Bond | A | No SSE | 37 | ARG | NE | C4A | A | 300 | 3.88 | H.Bond | A | No SSE | 37 | ARG | NE | P2B | A | 300 | 3.63 | | A | No SSE | 37 | ARG | NE | O1X | A | 300 | 3.72 | H.Bond | A | No SSE | 37 | ARG | NE | O2X | A | 300 | 3.08 | H.Bond | A | No SSE | 37 | ARG | CZ | O2B | A | 300 | 3.98 | van der Waals | A | No SSE | 37 | ARG | CZ | C8A | A | 300 | 3.91 | van der Waals | A | No SSE | 37 | ARG | CZ | N7A | A | 300 | 3.7 | H.Bond | A | No SSE | 37 | ARG | CZ | C5A | A | 300 | 3.91 | van der Waals | A | No SSE | 37 | ARG | CZ | O1X | A | 300 | 3.65 | van der Waals | A | No SSE | 37 | ARG | CZ | O2X | A | 300 | 3.83 | van der Waals | A | No SSE | 37 | ARG | NH1 | O2B | A | 300 | 3.68 | H.Bond | A | No SSE | 37 | ARG | NH1 | C8A | A | 300 | 3.76 | H.Bond | A | No SSE | 37 | ARG | NH1 | N7A | A | 300 | 3.9 | H.Bond | A | No SSE | 37 | ARG | NH1 | P2B | A | 300 | 3.57 | | A | No SSE | 37 | ARG | NH1 | O1X | A | 300 | 2.72 | H.Bond | A | No SSE | 37 | ARG | NH1 | O2X | A | 300 | 3.72 | H.Bond | A | No SSE | 37 | ARG | NH2 | N7A | A | 300 | 3.83 | H.Bond | A | 38-51 H: 1 | 41 | ARG | NE | O2X | A | 300 | 3.28 | H.Bond | A | 38-51 H: 1 | 41 | ARG | NE | O3X | A | 300 | 3.77 | H.Bond | A | 38-51 H: 1 | 41 | ARG | CZ | O2X | A | 300 | 3.31 | van der Waals | A | 38-51 H: 1 | 41 | ARG | NH2 | P2B | A | 300 | 3.73 | | A | 38-51 H: 1 | 41 | ARG | NH2 | O2X | A | 300 | 2.52 | H.Bond | A | No SSE | 61 | LEU | O | N1A | A | 300 | 3.9 | H.Bond | A | No SSE | 61 | LEU | O | C2A | A | 300 | 3.31 | van der Waals | A | No SSE | 62 | ASP | CA | N1A | A | 300 | 3.42 | H.Bond | A | No SSE | 62 | ASP | CA | C2A | A | 300 | 3.87 | van der Waals | A | No SSE | 62 | ASP | C | N1A | A | 300 | 3.74 | H.Bond | A | No SSE | 62 | ASP | CG | N1A | A | 300 | 3.92 | H.Bond | A | No SSE | 62 | ASP | OD1 | C6A | A | 300 | 3.62 | van der Waals | A | No SSE | 62 | ASP | OD1 | N6A | A | 300 | 3.09 | H.Bond | A | No SSE | 62 | ASP | OD1 | N1A | A | 300 | 3.41 | H.Bond | A | No SSE | 63 | ILE | N | N1A | A | 300 | 3.16 | H.Bond | A | No SSE | 63 | ILE | N | C2A | A | 300 | 3.83 | H.Bond | A | No SSE | 63 | ILE | CG1 | C6A | A | 300 | 3.94 | van der Waals | A | No SSE | 63 | ILE | CG1 | N6A | A | 300 | 3.84 | H.Bond | A | No SSE | 63 | ILE | CG1 | N1A | A | 300 | 3.82 | H.Bond | A | No SSE | 64 | ILE | CG1 | N6A | A | 300 | 3.6 | H.Bond | A | No SSE | 89 | ASN | C | O3D | A | 300 | 3.78 | van der Waals | A | No SSE | 89 | ASN | O | C5D | A | 300 | 3.67 | van der Waals | A | No SSE | 89 | ASN | O | C4D | A | 300 | 3.13 | van der Waals | A | No SSE | 89 | ASN | O | C3D | A | 300 | 3.1 | van der Waals | A | No SSE | 89 | ASN | O | O3D | A | 300 | 2.66 | H.Bond | A | No SSE | 89 | ASN | CG | C5D | A | 300 | 3.74 | van der Waals | A | No SSE | 89 | ASN | CG | C4D | A | 300 | 3.95 | van der Waals | A | No SSE | 89 | ASN | OD1 | C5D | A | 300 | 3.06 | van der Waals | A | No SSE | 89 | ASN | OD1 | C4D | A | 300 | 3.13 | van der Waals | A | No SSE | 89 | ASN | OD1 | O4D | A | 300 | 3.89 | H.Bond | A | No SSE | 89 | ASN | ND2 | C5D | A | 300 | 3.86 | H.Bond | A | No SSE | 90 | ALA | CA | O4B | A | 300 | 3.48 | van der Waals | A | No SSE | 90 | ALA | O | O3D | A | 300 | 3.97 | H.Bond | A | No SSE | 90 | ALA | CB | O4B | A | 300 | 3.85 | van der Waals | A | No SSE | 90 | ALA | CB | N9A | A | 300 | 3.93 | H.Bond | A | No SSE | 90 | ALA | CB | N3A | A | 300 | 3.62 | H.Bond | A | No SSE | 90 | ALA | CB | C4A | A | 300 | 3.69 | van der Waals | A | No SSE | 91 | ALA | N | O4B | A | 300 | 3.52 | H.Bond | A | No SSE | 91 | ALA | N | C8A | A | 300 | 3.95 | H.Bond | A | No SSE | 91 | ALA | O | C5B | A | 300 | 3.73 | van der Waals | A | No SSE | 91 | ALA | O | O4B | A | 300 | 3.86 | H.Bond | A | No SSE | 91 | ALA | O | C8A | A | 300 | 3.47 | van der Waals | A | No SSE | 91 | ALA | CB | C3D | A | 300 | 3.51 | van der Waals | A | No SSE | 91 | ALA | CB | O3D | A | 300 | 3.29 | van der Waals | A | No SSE | 91 | ALA | CB | O2D | A | 300 | 3.8 | van der Waals | A | No SSE | 92 | ILE | CG2 | C8A | A | 300 | 3.67 | van der Waals | A | No SSE | 92 | ILE | CG2 | N7A | A | 300 | 3.66 | H.Bond | A | 128-137 S: 1 | 137 | VAL | O | O3D | A | 300 | 3.59 | H.Bond | A | 128-137 S: 1 | 137 | VAL | CG1 | C4D | A | 300 | 3.69 | van der Waals | A | 128-137 S: 1 | 137 | VAL | CG1 | O4D | A | 300 | 3.26 | van der Waals | A | 128-137 S: 1 | 137 | VAL | CG1 | O3D | A | 300 | 3.91 | van der Waals | A | 128-137 S: 1 | 137 | VAL | CG1 | C1D | A | 300 | 3.52 | van der Waals | A | No SSE | 138 | SER | O | C1D | A | 300 | 3.74 | van der Waals | A | No SSE | 138 | SER | O | N1N | A | 300 | 3.88 | H.Bond | A | No SSE | 138 | SER | O | C6N | A | 300 | 3.09 | van der Waals | A | No SSE | 139 | SER | CB | C5N | A | 300 | 3.82 | van der Waals | A | No SSE | 139 | SER | CB | C6N | A | 300 | 3.71 | van der Waals | A | No SSE | 139 | SER | OG | C5N | A | 300 | 3.54 | van der Waals | A | No SSE | 139 | SER | OG | C6N | A | 300 | 3.91 | van der Waals | A | 191-215 H: 1 | 193 | TYR | CE1 | O2D | A | 300 | 3.74 | van der Waals | A | 191-215 H: 1 | 193 | TYR | CZ | O2D | A | 300 | 3.66 | van der Waals | A | 191-215 H: 1 | 193 | TYR | OH | C2D | A | 300 | 3.68 | van der Waals | A | 191-215 H: 1 | 193 | TYR | OH | O2D | A | 300 | 2.76 | H.Bond | A | 191-215 H: 1 | 193 | TYR | OH | N1N | A | 300 | 3.86 | H.Bond | A | 191-215 H: 1 | 193 | TYR | OH | C6N | A | 300 | 3.75 | van der Waals | A | 191-215 H: 1 | 197 | LYS | CE | O2D | A | 300 | 3.24 | van der Waals | A | 191-215 H: 1 | 197 | LYS | NZ | O3D | A | 300 | 3.1 | H.Bond | A | 191-215 H: 1 | 197 | LYS | NZ | C2D | A | 300 | 3.95 | H.Bond | A | 191-215 H: 1 | 197 | LYS | NZ | O2D | A | 300 | 2.98 | H.Bond | A | 221-226 S: 1 | 226 | CYS | SG | C5N | A | 300 | 3.96 | van der Waals | A | No SSE | 227 | PRO | CG | N1N | A | 300 | 3.85 | H.Bond | A | No SSE | 227 | PRO | CG | C5N | A | 300 | 3.99 | van der Waals | A | No SSE | 227 | PRO | CG | C6N | A | 300 | 3.76 | van der Waals | A | No SSE | 227 | PRO | CD | C5N | A | 300 | 3.96 | van der Waals | A | No SSE | 227 | PRO | CD | C6N | A | 300 | 3.66 | van der Waals | A | No SSE | 228 | GLY | O | C3N | A | 300 | 3.65 | van der Waals | A | No SSE | 228 | GLY | O | C7N | A | 300 | 3.78 | van der Waals | A | No SSE | 228 | GLY | O | O7N | A | 300 | 3.43 | H.Bond | A | No SSE | 228 | GLY | O | C4N | A | 300 | 3.13 | van der Waals | A | No SSE | 228 | GLY | O | C5N | A | 300 | 3.81 | van der Waals | A | No SSE | 229 | TRP | CA | O7N | A | 300 | 3.46 | van der Waals | A | No SSE | 229 | TRP | C | O7N | A | 300 | 3.6 | van der Waals | A | No SSE | 229 | TRP | CD1 | O7N | A | 300 | 3.46 | van der Waals | A | No SSE | 230 | VAL | N | C7N | A | 300 | 3.64 | H.Bond | A | No SSE | 230 | VAL | N | O7N | A | 300 | 2.83 | H.Bond | A | No SSE | 230 | VAL | CA | O7N | A | 300 | 3.82 | van der Waals | A | No SSE | 230 | VAL | O | C7N | A | 300 | 3.97 | van der Waals | A | No SSE | 230 | VAL | O | O7N | A | 300 | 3.53 | H.Bond | A | No SSE | 230 | VAL | O | N7N | A | 300 | 3.45 | H.Bond | A | No SSE | 232 | THR | CB | O1A | A | 300 | 3.6 | van der Waals | A | No SSE | 232 | THR | CB | O1N | A | 300 | 3.17 | van der Waals | A | No SSE | 232 | THR | OG1 | O1A | A | 300 | 3.88 | H.Bond | A | No SSE | 232 | THR | OG1 | PN | A | 300 | 3.62 | | A | No SSE | 232 | THR | OG1 | O1N | A | 300 | 2.4 | H.Bond | A | No SSE | 232 | THR | OG1 | N7N | A | 300 | 3.31 | H.Bond | A | No SSE | 232 | THR | CG2 | PN | A | 300 | 3.99 | | A | No SSE | 232 | THR | CG2 | O1N | A | 300 | 3.4 | van der Waals | A | No SSE | 232 | THR | CG2 | O2N | A | 300 | 3.61 | van der Waals | A | No SSE | 233 | ASP | N | O1A | A | 300 | 3.78 | H.Bond | A | No SSE | 234 | MET | N | O2A | A | 300 | 3.8 | H.Bond | A | No SSE | 234 | MET | CB | O2A | A | 300 | 3.48 | van der Waals | A | No SSE | 234 | MET | CB | O3 | A | 300 | 3.89 | van der Waals | A | No SSE | 234 | MET | CB | O1N | A | 300 | 3.14 | van der Waals | A | No SSE | 234 | MET | SD | C2D | A | 300 | 3.58 | van der Waals | A | No SSE | 234 | MET | SD | O2D | A | 300 | 3.67 | | A | No SSE | 235 | GLY | N | N7N | A | 300 | 3.58 | H.Bond | A | No SSE | 235 | GLY | CA | O7N | A | 300 | 3.87 | van der Waals | A | No SSE | 235 | GLY | CA | N7N | A | 300 | 3.68 | H.Bond | A | Water | 401 | HOH | O | O5B | A | 300 | 3.39 | H.Bond | A | Water | 401 | HOH | O | C5B | A | 300 | 3.88 | van der Waals | A | Water | 401 | HOH | O | C4B | A | 300 | 3.91 | van der Waals | A | Water | 401 | HOH | O | O3 | A | 300 | 3.56 | H.Bond | A | Water | 401 | HOH | O | PN | A | 300 | 3.64 | | A | Water | 401 | HOH | O | O2N | A | 300 | 2.65 | H.Bond | A | Water | 401 | HOH | O | C5D | A | 300 | 3.47 | van der Waals | A | Water | 402 | HOH | O | C2A | A | 300 | 3.68 | van der Waals | A | Water | 402 | HOH | O | N3A | A | 300 | 3.88 | H.Bond | A | Water | 405 | HOH | O | O3B | A | 300 | 3.65 | H.Bond | A | Water | 405 | HOH | O | C2B | A | 300 | 3.74 | van der Waals | A | Water | 405 | HOH | O | O2B | A | 300 | 3.04 | H.Bond | A | Water | 405 | HOH | O | C1B | A | 300 | 3.42 | van der Waals | A | Water | 405 | HOH | O | N9A | A | 300 | 3.78 | H.Bond | A | Water | 405 | HOH | O | C2A | A | 300 | 3.54 | van der Waals | A | Water | 405 | HOH | O | N3A | A | 300 | 2.74 | H.Bond | A | Water | 405 | HOH | O | C4A | A | 300 | 3.51 | van der Waals | A | Water | 405 | HOH | O | O2X | A | 300 | 3.9 | H.Bond | A | Water | 408 | HOH | O | N6A | A | 300 | 3.96 | H.Bond | A | Water | 411 | HOH | O | O2B | A | 300 | 3.96 | H.Bond | A | Water | 411 | HOH | O | P2B | A | 300 | 3.67 | | A | Water | 411 | HOH | O | O2X | A | 300 | 2.68 | H.Bond | A | Water | 411 | HOH | O | O3X | A | 300 | 3.91 | H.Bond | A | Water | 413 | HOH | O | O2A | A | 300 | 2.93 | H.Bond | A | Water | 413 | HOH | O | C5B | A | 300 | 3.4 | van der Waals | A | Water | 420 | HOH | O | O3D | A | 300 | 3.71 | H.Bond | |
Nbr of Motifs per PDB entry | PDB Entry | Title | Determination Method | Resolution | R-Factor |
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4 | 1XKQ | Crystal Structure of Short-Chain Dehydrogenase/Reductase of unknown Function from Caenorhabditis Elegans with Cofactor | X-RAY | 2.10 | 0.216
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| Motif No./Chain | Motif | Bound Ligand /(Nbr. in PDB) | Show Details |
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| 1 / A |
> Structure: LLLHSLHLLLLLLLHSLHHSLLLLH
+12w
> Sequence: GSSNGIGRSRADVTNAGLVSSYKPGMVTGF
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NDP /(1281) |
[+] |
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> Graphics rep1:
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> Graphics rep2:
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Protein Chain | Prot SSE | Res Nbr | Res Name | RsAt.Name | LgAt.Name |
Lg Chain | Lg Nbr | Bnd Len | Bnd Type |
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A | No SSE | 13 | GLY | CA | C4B | A | 1281 | 3.8 | van der Waals | A | No SSE | 13 | GLY | CA | O4B | A | 1281 | 3.44 | van der Waals | A | No SSE | 13 | GLY | CA | C3B | A | 1281 | 3.75 | van der Waals | A | No SSE | 13 | GLY | CA | O3B | A | 1281 | 2.95 | van der Waals | A | No SSE | 13 | GLY | CA | C1B | A | 1281 | 3.62 | van der Waals | A | No SSE | 13 | GLY | C | C3B | A | 1281 | 3.89 | van der Waals | A | No SSE | 13 | GLY | C | O3B | A | 1281 | 2.73 | van der Waals | A | No SSE | 13 | GLY | O | C4B | A | 1281 | 3.77 | van der Waals | A | No SSE | 13 | GLY | O | C3B | A | 1281 | 3.74 | van der Waals | A | No SSE | 13 | GLY | O | O3B | A | 1281 | 2.71 | H.Bond | A | No SSE | 14 | SER | N | O3B | A | 1281 | 3.44 | H.Bond | A | No SSE | 15 | SER | N | O3B | A | 1281 | 3.15 | H.Bond | A | No SSE | 15 | SER | CA | O3B | A | 1281 | 3.84 | van der Waals | A | No SSE | 15 | SER | C | O3B | A | 1281 | 3.89 | van der Waals | A | No SSE | 15 | SER | CB | O3B | A | 1281 | 3.98 | van der Waals | A | No SSE | 15 | SER | OG | C3B | A | 1281 | 3.59 | van der Waals | A | No SSE | 15 | SER | OG | O3B | A | 1281 | 3.04 | H.Bond | A | No SSE | 15 | SER | OG | C2B | A | 1281 | 3.84 | van der Waals | A | No SSE | 15 | SER | OG | O2B | A | 1281 | 3.1 | H.Bond | A | No SSE | 15 | SER | OG | P2B | A | 1281 | 2.93 | | A | No SSE | 15 | SER | OG | O1X | A | 1281 | 3.14 | H.Bond | A | No SSE | 15 | SER | OG | O2X | A | 1281 | 3.9 | H.Bond | A | 16-29 H: 1 | 16 | ASN | N | O3B | A | 1281 | 3.51 | H.Bond | A | 16-29 H: 1 | 16 | ASN | C | O1A | A | 1281 | 3.81 | van der Waals | A | 16-29 H: 1 | 16 | ASN | O | O5B | A | 1281 | 3.92 | H.Bond | A | 16-29 H: 1 | 16 | ASN | O | O3B | A | 1281 | 3.96 | H.Bond | A | 16-29 H: 1 | 16 | ASN | CG | O1A | A | 1281 | 3.99 | van der Waals | A | 16-29 H: 1 | 16 | ASN | ND2 | O1A | A | 1281 | 3.87 | H.Bond | A | 16-29 H: 1 | 17 | GLY | N | O1A | A | 1281 | 3.47 | H.Bond | A | 16-29 H: 1 | 17 | GLY | CA | O1A | A | 1281 | 3.41 | van der Waals | A | 16-29 H: 1 | 17 | GLY | CA | O2N | A | 1281 | 3.21 | van der Waals | A | 16-29 H: 1 | 17 | GLY | C | O2N | A | 1281 | 3.45 | van der Waals | A | 16-29 H: 1 | 18 | ILE | N | O2N | A | 1281 | 2.77 | H.Bond | A | 16-29 H: 1 | 18 | ILE | CA | O2N | A | 1281 | 3.81 | van der Waals | A | 16-29 H: 1 | 18 | ILE | CB | O2N | A | 1281 | 3.74 | van der Waals | A | 16-29 H: 1 | 18 | ILE | CG1 | O2N | A | 1281 | 3.54 | van der Waals | A | 32-37 S: 1 | 37 | GLY | CA | O2B | A | 1281 | 3.91 | van der Waals | A | 32-37 S: 1 | 37 | GLY | CA | O1X | A | 1281 | 3.9 | van der Waals | A | 32-37 S: 1 | 37 | GLY | C | O1X | A | 1281 | 3.62 | van der Waals | A | No SSE | 38 | ARG | N | O2B | A | 1281 | 3.93 | H.Bond | A | No SSE | 38 | ARG | N | P2B | A | 1281 | 3.76 | | A | No SSE | 38 | ARG | N | O1X | A | 1281 | 2.67 | H.Bond | A | No SSE | 38 | ARG | N | O3X | A | 1281 | 3.66 | H.Bond | A | No SSE | 38 | ARG | CA | O1X | A | 1281 | 3.31 | van der Waals | A | No SSE | 38 | ARG | C | O1X | A | 1281 | 3.34 | van der Waals | A | No SSE | 38 | ARG | CB | O1X | A | 1281 | 3.62 | van der Waals | A | No SSE | 38 | ARG | CB | O3X | A | 1281 | 3.85 | van der Waals | A | No SSE | 38 | ARG | CG | N1A | A | 1281 | 3.77 | H.Bond | A | No SSE | 38 | ARG | CG | C2A | A | 1281 | 3.78 | van der Waals | A | No SSE | 38 | ARG | CG | O3X | A | 1281 | 3.88 | van der Waals | A | No SSE | 38 | ARG | CD | C5A | A | 1281 | 3.57 | van der Waals | A | No SSE | 38 | ARG | CD | C6A | A | 1281 | 3.44 | van der Waals | A | No SSE | 38 | ARG | CD | N1A | A | 1281 | 3.47 | H.Bond | A | No SSE | 38 | ARG | CD | C2A | A | 1281 | 3.61 | van der Waals | A | No SSE | 38 | ARG | CD | N3A | A | 1281 | 3.77 | H.Bond | A | No SSE | 38 | ARG | CD | C4A | A | 1281 | 3.69 | van der Waals | A | No SSE | 38 | ARG | CD | O3X | A | 1281 | 3.01 | van der Waals | A | No SSE | 38 | ARG | NE | C5A | A | 1281 | 3.79 | H.Bond | A | No SSE | 38 | ARG | NE | C6A | A | 1281 | 3.45 | H.Bond | A | No SSE | 38 | ARG | NE | N6A | A | 1281 | 3.55 | H.Bond | A | No SSE | 38 | ARG | NE | N1A | A | 1281 | 3.83 | H.Bond | A | No SSE | 38 | ARG | CZ | N7A | A | 1281 | 3.89 | H.Bond | A | No SSE | 38 | ARG | CZ | C5A | A | 1281 | 3.82 | van der Waals | A | No SSE | 38 | ARG | CZ | C6A | A | 1281 | 3.77 | van der Waals | A | No SSE | 38 | ARG | CZ | N6A | A | 1281 | 3.7 | H.Bond | A | No SSE | 38 | ARG | NH1 | C8A | A | 1281 | 3.81 | H.Bond | A | No SSE | 38 | ARG | NH1 | N7A | A | 1281 | 3.33 | H.Bond | A | No SSE | 38 | ARG | NH1 | C5A | A | 1281 | 3.6 | H.Bond | A | No SSE | 38 | ARG | NH1 | O3X | A | 1281 | 3.49 | H.Bond | A | No SSE | 38 | ARG | NH2 | N6A | A | 1281 | 3.95 | H.Bond | A | 39-52 H: 1 | 39 | SER | N | P2B | A | 1281 | 3.95 | | A | 39-52 H: 1 | 39 | SER | N | O1X | A | 1281 | 2.51 | H.Bond | A | 39-52 H: 1 | 39 | SER | CA | O1X | A | 1281 | 3.49 | van der Waals | A | 39-52 H: 1 | 39 | SER | CB | O1X | A | 1281 | 3.41 | van der Waals | A | 39-52 H: 1 | 42 | ARG | CZ | O2X | A | 1281 | 3.42 | van der Waals | A | 39-52 H: 1 | 42 | ARG | NH1 | P2B | A | 1281 | 3.57 | | A | 39-52 H: 1 | 42 | ARG | NH1 | O1X | A | 1281 | 3.99 | H.Bond | A | 39-52 H: 1 | 42 | ARG | NH1 | O2X | A | 1281 | 3.24 | H.Bond | A | 39-52 H: 1 | 42 | ARG | NH2 | P2B | A | 1281 | 3.7 | | A | 39-52 H: 1 | 42 | ARG | NH2 | O2X | A | 1281 | 2.74 | H.Bond | A | No SSE | 65 | ALA | O | C2A | A | 1281 | 3.63 | van der Waals | A | No SSE | 66 | ASP | CA | N1A | A | 1281 | 3.72 | H.Bond | A | No SSE | 66 | ASP | C | N1A | A | 1281 | 3.81 | H.Bond | A | No SSE | 66 | ASP | CG | N6A | A | 1281 | 3.95 | H.Bond | A | No SSE | 66 | ASP | OD1 | C6A | A | 1281 | 3.85 | van der Waals | A | No SSE | 66 | ASP | OD1 | N6A | A | 1281 | 3.11 | H.Bond | A | No SSE | 66 | ASP | OD1 | N1A | A | 1281 | 3.53 | H.Bond | A | No SSE | 67 | VAL | N | N1A | A | 1281 | 3.02 | H.Bond | A | No SSE | 67 | VAL | N | C2A | A | 1281 | 3.44 | H.Bond | A | No SSE | 67 | VAL | CA | N1A | A | 1281 | 3.94 | H.Bond | A | No SSE | 67 | VAL | CB | N1A | A | 1281 | 3.86 | H.Bond | A | No SSE | 67 | VAL | CB | C2A | A | 1281 | 3.79 | van der Waals | A | No SSE | 67 | VAL | CG1 | C6A | A | 1281 | 3.87 | van der Waals | A | No SSE | 67 | VAL | CG1 | N1A | A | 1281 | 3.36 | H.Bond | A | No SSE | 67 | VAL | CG1 | C2A | A | 1281 | 3.52 | van der Waals | A | No SSE | 68 | THR | CG2 | N6A | A | 1281 | 3.53 | H.Bond | A | No SSE | 93 | ASN | C | O3D | A | 1281 | 3.73 | van der Waals | A | No SSE | 93 | ASN | O | C4D | A | 1281 | 3.16 | van der Waals | A | No SSE | 93 | ASN | O | C3D | A | 1281 | 3.29 | van der Waals | A | No SSE | 93 | ASN | O | O3D | A | 1281 | 2.65 | H.Bond | A | No SSE | 94 | ALA | CA | O4B | A | 1281 | 3.56 | van der Waals | A | No SSE | 94 | ALA | C | O3D | A | 1281 | 3.73 | van der Waals | A | No SSE | 94 | ALA | O | O3D | A | 1281 | 3.78 | H.Bond | A | No SSE | 94 | ALA | CB | O4B | A | 1281 | 3.72 | van der Waals | A | No SSE | 95 | GLY | N | O4B | A | 1281 | 3.85 | H.Bond | A | No SSE | 95 | GLY | N | C3D | A | 1281 | 3.56 | H.Bond | A | No SSE | 95 | GLY | N | O3D | A | 1281 | 3.6 | H.Bond | A | No SSE | 95 | GLY | CA | C3D | A | 1281 | 3.38 | van der Waals | A | No SSE | 95 | GLY | CA | O3D | A | 1281 | 3.52 | van der Waals | A | No SSE | 95 | GLY | C | C3D | A | 1281 | 3.51 | van der Waals | A | No SSE | 95 | GLY | O | C5B | A | 1281 | 3.96 | van der Waals | A | No SSE | 95 | GLY | O | C5D | A | 1281 | 3.37 | van der Waals | A | No SSE | 95 | GLY | O | C3D | A | 1281 | 3.55 | van der Waals | A | 110-122 H: 1 | 120 | LEU | CD1 | N7A | A | 1281 | 3.65 | H.Bond | A | 110-122 H: 1 | 120 | LEU | CD1 | C5A | A | 1281 | 3.65 | van der Waals | A | 110-122 H: 1 | 120 | LEU | CD1 | C6A | A | 1281 | 3.74 | van der Waals | A | 110-122 H: 1 | 120 | LEU | CD1 | N6A | A | 1281 | 3.74 | H.Bond | A | 110-122 H: 1 | 120 | LEU | CD2 | N7A | A | 1281 | 3.46 | H.Bond | A | 142-146 S: 1 | 146 | VAL | O | O3D | A | 1281 | 3.68 | H.Bond | A | 142-146 S: 1 | 146 | VAL | CG1 | C1D | A | 1281 | 3.89 | van der Waals | A | No SSE | 147 | SER | O | C1D | A | 1281 | 3.99 | van der Waals | A | No SSE | 147 | SER | O | N1N | A | 1281 | 3.99 | H.Bond | A | No SSE | 147 | SER | O | C6N | A | 1281 | 3.11 | van der Waals | A | 148-152 H: 5 | 148 | SER | CB | C5N | A | 1281 | 3.57 | van der Waals | A | 148-152 H: 5 | 148 | SER | CB | C6N | A | 1281 | 3.53 | van der Waals | A | 148-152 H: 5 | 148 | SER | OG | C5N | A | 1281 | 3.42 | van der Waals | A | 148-152 H: 5 | 148 | SER | OG | C6N | A | 1281 | 3.89 | van der Waals | A | 159-182 H: 1 | 162 | TYR | CE1 | O2D | A | 1281 | 3.51 | van der Waals | A | 159-182 H: 1 | 162 | TYR | CZ | O2D | A | 1281 | 3.39 | van der Waals | A | 159-182 H: 1 | 162 | TYR | OH | C2D | A | 1281 | 3.47 | van der Waals | A | 159-182 H: 1 | 162 | TYR | OH | O2D | A | 1281 | 2.46 | H.Bond | A | 159-182 H: 1 | 162 | TYR | OH | N1N | A | 1281 | 3.84 | H.Bond | A | 159-182 H: 1 | 162 | TYR | OH | C6N | A | 1281 | 3.69 | van der Waals | A | 159-182 H: 1 | 166 | LYS | CE | O2D | A | 1281 | 3.02 | van der Waals | A | 159-182 H: 1 | 166 | LYS | NZ | C3D | A | 1281 | 3.83 | H.Bond | A | 159-182 H: 1 | 166 | LYS | NZ | O3D | A | 1281 | 3.04 | H.Bond | A | 159-182 H: 1 | 166 | LYS | NZ | C2D | A | 1281 | 3.8 | H.Bond | A | 159-182 H: 1 | 166 | LYS | NZ | O2D | A | 1281 | 2.91 | H.Bond | A | 186-192 S: 1 | 192 | PRO | C | C5N | A | 1281 | 3.88 | van der Waals | A | 186-192 S: 1 | 192 | PRO | O | C4N | A | 1281 | 3.85 | van der Waals | A | 186-192 S: 1 | 192 | PRO | O | C5N | A | 1281 | 3.31 | van der Waals | A | 186-192 S: 1 | 192 | PRO | CB | C5N | A | 1281 | 3.86 | van der Waals | A | 186-192 S: 1 | 192 | PRO | CD | C6N | A | 1281 | 3.93 | van der Waals | A | No SSE | 193 | GLY | C | C4N | A | 1281 | 3.89 | van der Waals | A | No SSE | 193 | GLY | O | C3N | A | 1281 | 3.8 | van der Waals | A | No SSE | 193 | GLY | O | C7N | A | 1281 | 3.96 | van der Waals | A | No SSE | 193 | GLY | O | O7N | A | 1281 | 3.39 | H.Bond | A | No SSE | 193 | GLY | O | C4N | A | 1281 | 2.97 | van der Waals | A | No SSE | 193 | GLY | O | C5N | A | 1281 | 3.75 | van der Waals | A | No SSE | 194 | MET | CA | O7N | A | 1281 | 3.3 | van der Waals | A | No SSE | 194 | MET | C | O7N | A | 1281 | 3.53 | van der Waals | A | No SSE | 195 | VAL | N | C7N | A | 1281 | 3.55 | H.Bond | A | No SSE | 195 | VAL | N | O7N | A | 1281 | 2.84 | H.Bond | A | No SSE | 195 | VAL | CA | O7N | A | 1281 | 3.89 | van der Waals | A | No SSE | 195 | VAL | O | C7N | A | 1281 | 3.58 | van der Waals | A | No SSE | 195 | VAL | O | O7N | A | 1281 | 3.47 | H.Bond | A | No SSE | 195 | VAL | O | N7N | A | 1281 | 3.12 | H.Bond | A | No SSE | 195 | VAL | CG1 | C3N | A | 1281 | 3.85 | van der Waals | A | No SSE | 195 | VAL | CG1 | C7N | A | 1281 | 3.26 | van der Waals | A | No SSE | 195 | VAL | CG1 | O7N | A | 1281 | 3.62 | van der Waals | A | No SSE | 195 | VAL | CG1 | N7N | A | 1281 | 3.17 | H.Bond | A | No SSE | 197 | THR | C | O1A | A | 1281 | 3.92 | van der Waals | A | No SSE | 197 | THR | CB | O1A | A | 1281 | 3.26 | van der Waals | A | No SSE | 197 | THR | CB | PN | A | 1281 | 3.52 | | A | No SSE | 197 | THR | CB | O2N | A | 1281 | 3.47 | van der Waals | A | No SSE | 197 | THR | OG1 | O1A | A | 1281 | 3.24 | H.Bond | A | No SSE | 197 | THR | OG1 | O3 | A | 1281 | 3.5 | H.Bond | A | No SSE | 197 | THR | OG1 | PN | A | 1281 | 3.03 | | A | No SSE | 197 | THR | OG1 | O1N | A | 1281 | 3.57 | H.Bond | A | No SSE | 197 | THR | OG1 | O2N | A | 1281 | 3.56 | H.Bond | A | No SSE | 197 | THR | OG1 | N7N | A | 1281 | 3.36 | H.Bond | A | No SSE | 197 | THR | CG2 | PN | A | 1281 | 3.83 | | A | No SSE | 197 | THR | CG2 | O2N | A | 1281 | 3.51 | van der Waals | A | 198-203 H: 1 | 198 | GLY | N | PA | A | 1281 | 3.75 | | A | 198-203 H: 1 | 198 | GLY | N | O1A | A | 1281 | 2.85 | H.Bond | A | 198-203 H: 1 | 198 | GLY | CA | PA | A | 1281 | 3.88 | | A | 198-203 H: 1 | 198 | GLY | CA | O1A | A | 1281 | 3.47 | van der Waals | A | 198-203 H: 1 | 198 | GLY | CA | O2A | A | 1281 | 3.98 | van der Waals | A | 198-203 H: 1 | 198 | GLY | C | PA | A | 1281 | 3.65 | | A | 198-203 H: 1 | 198 | GLY | C | O1A | A | 1281 | 3.69 | van der Waals | A | 198-203 H: 1 | 198 | GLY | C | O2A | A | 1281 | 3.2 | van der Waals | A | 198-203 H: 1 | 198 | GLY | O | O2A | A | 1281 | 3.43 | H.Bond | A | 198-203 H: 1 | 199 | PHE | N | PA | A | 1281 | 3.58 | | A | 198-203 H: 1 | 199 | PHE | N | O1A | A | 1281 | 3.55 | H.Bond | A | 198-203 H: 1 | 199 | PHE | N | O2A | A | 1281 | 3.06 | H.Bond | A | 198-203 H: 1 | 199 | PHE | N | O3 | A | 1281 | 3.72 | H.Bond | A | 198-203 H: 1 | 199 | PHE | CA | O2A | A | 1281 | 3.18 | van der Waals | A | 198-203 H: 1 | 199 | PHE | CA | O3 | A | 1281 | 3.89 | van der Waals | A | 198-203 H: 1 | 199 | PHE | CB | O2A | A | 1281 | 3.91 | van der Waals | A | 198-203 H: 1 | 199 | PHE | CB | O3 | A | 1281 | 3.87 | van der Waals | A | 198-203 H: 1 | 199 | PHE | CB | N7N | A | 1281 | 3.27 | H.Bond | A | 198-203 H: 1 | 199 | PHE | CG | N7N | A | 1281 | 3.55 | H.Bond | A | 198-203 H: 1 | 199 | PHE | CD1 | O3 | A | 1281 | 3.92 | van der Waals | A | 198-203 H: 1 | 199 | PHE | CD1 | O1N | A | 1281 | 3.87 | van der Waals | A | 198-203 H: 1 | 199 | PHE | CD1 | C5D | A | 1281 | 3.96 | van der Waals | A | 198-203 H: 1 | 199 | PHE | CD1 | C2N | A | 1281 | 3.95 | van der Waals | A | 198-203 H: 1 | 199 | PHE | CE1 | C2D | A | 1281 | 3.62 | van der Waals | A | 198-203 H: 1 | 199 | PHE | CE1 | O2D | A | 1281 | 3.83 | van der Waals | A | Water | 1284 | HOH | O | O5B | A | 1281 | 3.32 | H.Bond | A | Water | 1284 | HOH | O | C4B | A | 1281 | 3.78 | van der Waals | A | Water | 1284 | HOH | O | O3 | A | 1281 | 3.97 | H.Bond | A | Water | 1284 | HOH | O | PN | A | 1281 | 3.61 | | A | Water | 1284 | HOH | O | O2N | A | 1281 | 2.68 | H.Bond | A | Water | 1284 | HOH | O | O5D | A | 1281 | 2.87 | H.Bond | A | Water | 1284 | HOH | O | C5D | A | 1281 | 3.97 | van der Waals | A | Water | 1285 | HOH | O | C4N | A | 1281 | 3.41 | van der Waals | A | Water | 1285 | HOH | O | C5N | A | 1281 | 3 | van der Waals | A | Water | 1285 | HOH | O | C6N | A | 1281 | 3.45 | van der Waals | A | Water | 1306 | HOH | O | C2A | A | 1281 | 3.34 | van der Waals | A | Water | 1306 | HOH | O | N3A | A | 1281 | 3.05 | H.Bond | A | Water | 1314 | HOH | O | N6A | A | 1281 | 3.69 | H.Bond | A | Water | 1315 | HOH | O | C8A | A | 1281 | 3.62 | van der Waals | A | Water | 1315 | HOH | O | N7A | A | 1281 | 2.79 | H.Bond | A | Water | 1315 | HOH | O | C5A | A | 1281 | 3.85 | van der Waals | A | Water | 1329 | HOH | O | O3D | A | 1281 | 3.31 | H.Bond | A | Water | 1335 | HOH | O | PA | A | 1281 | 3.72 | | A | Water | 1335 | HOH | O | O2A | A | 1281 | 2.49 | H.Bond | A | Water | 1335 | HOH | O | C5B | A | 1281 | 3.54 | van der Waals | A | Water | 1335 | HOH | O | O3 | A | 1281 | 3.56 | H.Bond | A | Water | 1341 | HOH | O | C7N | A | 1281 | 3.92 | van der Waals | A | Water | 1341 | HOH | O | O7N | A | 1281 | 3.12 | H.Bond | A | Water | 1348 | HOH | O | C2B | A | 1281 | 3.96 | van der Waals | A | Water | 1348 | HOH | O | P2B | A | 1281 | 3.93 | | A | Water | 1348 | HOH | O | O2X | A | 1281 | 2.54 | H.Bond | A | Water | 1348 | HOH | O | O3X | A | 1281 | 3.76 | H.Bond | A | Water | 1357 | HOH | O | O1X | A | 1281 | 3.9 | H.Bond | A | Water | 1357 | HOH | O | O2X | A | 1281 | 3.62 | H.Bond | A | Water | 1357 | HOH | O | O3X | A | 1281 | 3.14 | H.Bond | A | Water | 1371 | HOH | O | C2A | A | 1281 | 3.59 | van der Waals | A | Water | 1377 | HOH | O | C7N | A | 1281 | 3.51 | van der Waals | A | Water | 1377 | HOH | O | O7N | A | 1281 | 3.04 | H.Bond | A | Water | 1377 | HOH | O | N7N | A | 1281 | 3.4 | H.Bond | |
| 2 / B |
> Structure: LLLHSLHLLLLLLLHSLHHSLLLLH
+12w
> Sequence: GSSNGIGRSRADVTNAGLVSSYKPGMVTGF
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NDP /(2281) |
[+] |
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> Graphics rep1:
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> Graphics rep2:
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Protein Chain | Prot SSE | Res Nbr | Res Name | RsAt.Name | LgAt.Name |
Lg Chain | Lg Nbr | Bnd Len | Bnd Type |
---|
B | No SSE | 13 | GLY | CA | C4B | B | 2281 | 3.79 | van der Waals | B | No SSE | 13 | GLY | CA | O4B | B | 2281 | 3.44 | van der Waals | B | No SSE | 13 | GLY | CA | C3B | B | 2281 | 3.79 | van der Waals | B | No SSE | 13 | GLY | CA | O3B | B | 2281 | 2.98 | van der Waals | B | No SSE | 13 | GLY | CA | C1B | B | 2281 | 3.67 | van der Waals | B | No SSE | 13 | GLY | C | C3B | B | 2281 | 3.93 | van der Waals | B | No SSE | 13 | GLY | C | O3B | B | 2281 | 2.76 | van der Waals | B | No SSE | 13 | GLY | O | C4B | B | 2281 | 3.76 | van der Waals | B | No SSE | 13 | GLY | O | C3B | B | 2281 | 3.72 | van der Waals | B | No SSE | 13 | GLY | O | O3B | B | 2281 | 2.68 | H.Bond | B | No SSE | 14 | SER | N | O3B | B | 2281 | 3.52 | H.Bond | B | No SSE | 15 | SER | N | O3B | B | 2281 | 3.24 | H.Bond | B | No SSE | 15 | SER | CA | O3B | B | 2281 | 3.92 | van der Waals | B | No SSE | 15 | SER | C | O3B | B | 2281 | 3.93 | van der Waals | B | No SSE | 15 | SER | CB | O1X | B | 2281 | 3.92 | van der Waals | B | No SSE | 15 | SER | OG | C3B | B | 2281 | 3.69 | van der Waals | B | No SSE | 15 | SER | OG | O3B | B | 2281 | 3.09 | H.Bond | B | No SSE | 15 | SER | OG | C2B | B | 2281 | 3.87 | van der Waals | B | No SSE | 15 | SER | OG | O2B | B | 2281 | 3.05 | H.Bond | B | No SSE | 15 | SER | OG | P2B | B | 2281 | 2.79 | | B | No SSE | 15 | SER | OG | O1X | B | 2281 | 2.93 | H.Bond | B | No SSE | 15 | SER | OG | O2X | B | 2281 | 3.82 | H.Bond | B | 16-29 H: 1 | 16 | ASN | N | O3B | B | 2281 | 3.42 | H.Bond | B | 16-29 H: 1 | 16 | ASN | C | O1A | B | 2281 | 3.92 | van der Waals | B | 16-29 H: 1 | 16 | ASN | O | O3B | B | 2281 | 3.91 | H.Bond | B | 16-29 H: 1 | 16 | ASN | ND2 | O1A | B | 2281 | 3.91 | H.Bond | B | 16-29 H: 1 | 17 | GLY | N | O1A | B | 2281 | 3.46 | H.Bond | B | 16-29 H: 1 | 17 | GLY | CA | O1A | B | 2281 | 3.31 | van der Waals | B | 16-29 H: 1 | 17 | GLY | CA | O2N | B | 2281 | 3.14 | van der Waals | B | 16-29 H: 1 | 17 | GLY | C | O2N | B | 2281 | 3.3 | van der Waals | B | 16-29 H: 1 | 18 | ILE | N | PN | B | 2281 | 3.96 | | B | 16-29 H: 1 | 18 | ILE | N | O2N | B | 2281 | 2.57 | H.Bond | B | 16-29 H: 1 | 18 | ILE | CA | O2N | B | 2281 | 3.59 | van der Waals | B | 16-29 H: 1 | 18 | ILE | CB | O2N | B | 2281 | 3.55 | van der Waals | B | 16-29 H: 1 | 18 | ILE | CG1 | O1N | B | 2281 | 3.96 | van der Waals | B | 16-29 H: 1 | 18 | ILE | CG1 | O2N | B | 2281 | 3.66 | van der Waals | B | 16-29 H: 1 | 18 | ILE | CD1 | O1N | B | 2281 | 3.73 | van der Waals | B | 32-37 S: 1 | 37 | GLY | CA | O2B | B | 2281 | 3.99 | van der Waals | B | 32-37 S: 1 | 37 | GLY | CA | O1X | B | 2281 | 3.84 | van der Waals | B | 32-37 S: 1 | 37 | GLY | C | O1X | B | 2281 | 3.63 | van der Waals | B | No SSE | 38 | ARG | N | O2B | B | 2281 | 3.99 | H.Bond | B | No SSE | 38 | ARG | N | P2B | B | 2281 | 3.78 | | B | No SSE | 38 | ARG | N | O1X | B | 2281 | 2.69 | H.Bond | B | No SSE | 38 | ARG | N | O3X | B | 2281 | 3.63 | H.Bond | B | No SSE | 38 | ARG | CA | O1X | B | 2281 | 3.39 | van der Waals | B | No SSE | 38 | ARG | C | O1X | B | 2281 | 3.45 | van der Waals | B | No SSE | 38 | ARG | CB | O1X | B | 2281 | 3.66 | van der Waals | B | No SSE | 38 | ARG | CB | O3X | B | 2281 | 3.72 | van der Waals | B | No SSE | 38 | ARG | CG | N1A | B | 2281 | 3.7 | H.Bond | B | No SSE | 38 | ARG | CG | C2A | B | 2281 | 3.72 | van der Waals | B | No SSE | 38 | ARG | CG | O3X | B | 2281 | 3.74 | van der Waals | B | No SSE | 38 | ARG | CD | C5A | B | 2281 | 3.59 | van der Waals | B | No SSE | 38 | ARG | CD | C6A | B | 2281 | 3.5 | van der Waals | B | No SSE | 38 | ARG | CD | N1A | B | 2281 | 3.62 | H.Bond | B | No SSE | 38 | ARG | CD | C2A | B | 2281 | 3.8 | van der Waals | B | No SSE | 38 | ARG | CD | N3A | B | 2281 | 3.91 | H.Bond | B | No SSE | 38 | ARG | CD | C4A | B | 2281 | 3.75 | van der Waals | B | No SSE | 38 | ARG | CD | O3X | B | 2281 | 2.99 | van der Waals | B | No SSE | 38 | ARG | NE | C5A | B | 2281 | 3.7 | H.Bond | B | No SSE | 38 | ARG | NE | C6A | B | 2281 | 3.36 | H.Bond | B | No SSE | 38 | ARG | NE | N6A | B | 2281 | 3.41 | H.Bond | B | No SSE | 38 | ARG | NE | N1A | B | 2281 | 3.81 | H.Bond | B | No SSE | 38 | ARG | CZ | N7A | B | 2281 | 3.88 | H.Bond | B | No SSE | 38 | ARG | CZ | C5A | B | 2281 | 3.85 | van der Waals | B | No SSE | 38 | ARG | CZ | C6A | B | 2281 | 3.79 | van der Waals | B | No SSE | 38 | ARG | CZ | N6A | B | 2281 | 3.64 | H.Bond | B | No SSE | 38 | ARG | NH1 | N7A | B | 2281 | 3.55 | H.Bond | B | No SSE | 38 | ARG | NH1 | C5A | B | 2281 | 3.87 | H.Bond | B | No SSE | 38 | ARG | NH1 | O3X | B | 2281 | 3.85 | H.Bond | B | No SSE | 38 | ARG | NH2 | N6A | B | 2281 | 3.75 | H.Bond | B | 39-52 H: 1 | 39 | SER | N | O1X | B | 2281 | 2.61 | H.Bond | B | 39-52 H: 1 | 39 | SER | CA | O1X | B | 2281 | 3.58 | van der Waals | B | 39-52 H: 1 | 39 | SER | CB | O1X | B | 2281 | 3.48 | van der Waals | B | 39-52 H: 1 | 42 | ARG | CZ | O2X | B | 2281 | 3.36 | van der Waals | B | 39-52 H: 1 | 42 | ARG | NH1 | P2B | B | 2281 | 3.53 | | B | 39-52 H: 1 | 42 | ARG | NH1 | O1X | B | 2281 | 3.89 | H.Bond | B | 39-52 H: 1 | 42 | ARG | NH1 | O2X | B | 2281 | 3.17 | H.Bond | B | 39-52 H: 1 | 42 | ARG | NH2 | P2B | B | 2281 | 3.68 | | B | 39-52 H: 1 | 42 | ARG | NH2 | O2X | B | 2281 | 2.72 | H.Bond | B | No SSE | 65 | ALA | O | C2A | B | 2281 | 3.65 | van der Waals | B | No SSE | 66 | ASP | CA | N1A | B | 2281 | 3.71 | H.Bond | B | No SSE | 66 | ASP | C | N1A | B | 2281 | 3.88 | H.Bond | B | No SSE | 66 | ASP | CG | N6A | B | 2281 | 3.96 | H.Bond | B | No SSE | 66 | ASP | OD1 | C6A | B | 2281 | 3.95 | van der Waals | B | No SSE | 66 | ASP | OD1 | N6A | B | 2281 | 3.27 | H.Bond | B | No SSE | 66 | ASP | OD1 | N1A | B | 2281 | 3.58 | H.Bond | B | No SSE | 67 | VAL | N | N1A | B | 2281 | 3.13 | H.Bond | B | No SSE | 67 | VAL | N | C2A | B | 2281 | 3.52 | H.Bond | B | No SSE | 67 | VAL | CB | N1A | B | 2281 | 3.98 | H.Bond | B | No SSE | 67 | VAL | CB | C2A | B | 2281 | 3.93 | van der Waals | B | No SSE | 67 | VAL | CG1 | N1A | B | 2281 | 3.56 | H.Bond | B | No SSE | 67 | VAL | CG1 | C2A | B | 2281 | 3.76 | van der Waals | B | No SSE | 68 | THR | CG2 | N6A | B | 2281 | 3.83 | H.Bond | B | No SSE | 93 | ASN | C | O3D | B | 2281 | 3.66 | van der Waals | B | No SSE | 93 | ASN | O | C5D | B | 2281 | 3.98 | van der Waals | B | No SSE | 93 | ASN | O | C4D | B | 2281 | 3.1 | van der Waals | B | No SSE | 93 | ASN | O | C3D | B | 2281 | 3.24 | van der Waals | B | No SSE | 93 | ASN | O | O3D | B | 2281 | 2.59 | H.Bond | B | No SSE | 93 | ASN | OD1 | C4D | B | 2281 | 3.95 | van der Waals | B | No SSE | 94 | ALA | CA | O4B | B | 2281 | 3.5 | van der Waals | B | No SSE | 94 | ALA | C | O3D | B | 2281 | 3.66 | van der Waals | B | No SSE | 94 | ALA | O | O3D | B | 2281 | 3.74 | H.Bond | B | No SSE | 94 | ALA | CB | O4B | B | 2281 | 3.59 | van der Waals | B | No SSE | 94 | ALA | CB | C1B | B | 2281 | 3.89 | van der Waals | B | No SSE | 94 | ALA | CB | N9A | B | 2281 | 3.96 | H.Bond | B | No SSE | 95 | GLY | N | O4B | B | 2281 | 3.8 | H.Bond | B | No SSE | 95 | GLY | N | C3D | B | 2281 | 3.51 | H.Bond | B | No SSE | 95 | GLY | N | O3D | B | 2281 | 3.54 | H.Bond | B | No SSE | 95 | GLY | CA | C3D | B | 2281 | 3.4 | van der Waals | B | No SSE | 95 | GLY | CA | O3D | B | 2281 | 3.52 | van der Waals | B | No SSE | 95 | GLY | C | C3D | B | 2281 | 3.56 | van der Waals | B | No SSE | 95 | GLY | O | C5B | B | 2281 | 3.83 | van der Waals | B | No SSE | 95 | GLY | O | C5D | B | 2281 | 3.46 | van der Waals | B | No SSE | 95 | GLY | O | C3D | B | 2281 | 3.56 | van der Waals | B | 110-122 H: 1 | 120 | LEU | CD1 | N7A | B | 2281 | 3.71 | H.Bond | B | 110-122 H: 1 | 120 | LEU | CD1 | C5A | B | 2281 | 3.8 | van der Waals | B | 110-122 H: 1 | 120 | LEU | CD1 | C6A | B | 2281 | 3.99 | van der Waals | B | 110-122 H: 1 | 120 | LEU | CD2 | N7A | B | 2281 | 3.62 | H.Bond | B | 142-146 S: 1 | 146 | VAL | O | O3D | B | 2281 | 3.78 | H.Bond | B | 142-146 S: 1 | 146 | VAL | CG1 | O4D | B | 2281 | 3.88 | van der Waals | B | 142-146 S: 1 | 146 | VAL | CG1 | C1D | B | 2281 | 3.81 | van der Waals | B | No SSE | 147 | SER | O | C1D | B | 2281 | 3.98 | van der Waals | B | No SSE | 147 | SER | O | N1N | B | 2281 | 3.9 | H.Bond | B | No SSE | 147 | SER | O | C5N | B | 2281 | 3.84 | van der Waals | B | No SSE | 147 | SER | O | C6N | B | 2281 | 2.96 | van der Waals | B | 148-152 H: 5 | 148 | SER | CB | C5N | B | 2281 | 3.6 | van der Waals | B | 148-152 H: 5 | 148 | SER | CB | C6N | B | 2281 | 3.63 | van der Waals | B | 148-152 H: 5 | 148 | SER | OG | C5N | B | 2281 | 3.45 | van der Waals | B | 148-152 H: 5 | 148 | SER | OG | C6N | B | 2281 | 3.96 | van der Waals | B | 159-181 H: 1 | 162 | TYR | CE1 | O2D | B | 2281 | 3.56 | van der Waals | B | 159-181 H: 1 | 162 | TYR | CZ | O2D | B | 2281 | 3.42 | van der Waals | B | 159-181 H: 1 | 162 | TYR | OH | C2D | B | 2281 | 3.55 | van der Waals | B | 159-181 H: 1 | 162 | TYR | OH | O2D | B | 2281 | 2.46 | H.Bond | B | 159-181 H: 1 | 162 | TYR | OH | N1N | B | 2281 | 3.91 | H.Bond | B | 159-181 H: 1 | 162 | TYR | OH | C6N | B | 2281 | 3.7 | van der Waals | B | 159-181 H: 1 | 166 | LYS | CE | O2D | B | 2281 | 3.05 | van der Waals | B | 159-181 H: 1 | 166 | LYS | NZ | C3D | B | 2281 | 3.92 | H.Bond | B | 159-181 H: 1 | 166 | LYS | NZ | O3D | B | 2281 | 3.2 | H.Bond | B | 159-181 H: 1 | 166 | LYS | NZ | C2D | B | 2281 | 3.86 | H.Bond | B | 159-181 H: 1 | 166 | LYS | NZ | O2D | B | 2281 | 2.93 | H.Bond | B | 186-192 S: 1 | 192 | PRO | C | C5N | B | 2281 | 3.94 | van der Waals | B | 186-192 S: 1 | 192 | PRO | O | C4N | B | 2281 | 3.95 | van der Waals | B | 186-192 S: 1 | 192 | PRO | O | C5N | B | 2281 | 3.43 | van der Waals | B | 186-192 S: 1 | 192 | PRO | CB | C5N | B | 2281 | 3.71 | van der Waals | B | 186-192 S: 1 | 192 | PRO | CD | C6N | B | 2281 | 3.91 | van der Waals | B | No SSE | 193 | GLY | O | C3N | B | 2281 | 3.96 | van der Waals | B | No SSE | 193 | GLY | O | O7N | B | 2281 | 3.49 | H.Bond | B | No SSE | 193 | GLY | O | C4N | B | 2281 | 3.1 | van der Waals | B | No SSE | 193 | GLY | O | C5N | B | 2281 | 3.88 | van der Waals | B | No SSE | 194 | MET | CA | O7N | B | 2281 | 3.52 | van der Waals | B | No SSE | 194 | MET | C | O7N | B | 2281 | 3.63 | van der Waals | B | No SSE | 195 | VAL | N | C7N | B | 2281 | 3.65 | H.Bond | B | No SSE | 195 | VAL | N | O7N | B | 2281 | 2.87 | H.Bond | B | No SSE | 195 | VAL | CA | O7N | B | 2281 | 3.84 | van der Waals | B | No SSE | 195 | VAL | O | C7N | B | 2281 | 3.62 | van der Waals | B | No SSE | 195 | VAL | O | O7N | B | 2281 | 3.39 | H.Bond | B | No SSE | 195 | VAL | O | N7N | B | 2281 | 3.26 | H.Bond | B | No SSE | 195 | VAL | CG1 | C3N | B | 2281 | 3.95 | van der Waals | B | No SSE | 195 | VAL | CG1 | C7N | B | 2281 | 3.25 | van der Waals | B | No SSE | 195 | VAL | CG1 | O7N | B | 2281 | 3.57 | van der Waals | B | No SSE | 195 | VAL | CG1 | N7N | B | 2281 | 3.1 | H.Bond | B | No SSE | 197 | THR | C | O1A | B | 2281 | 3.95 | van der Waals | B | No SSE | 197 | THR | CB | O1A | B | 2281 | 3.22 | van der Waals | B | No SSE | 197 | THR | CB | PN | B | 2281 | 3.58 | | B | No SSE | 197 | THR | CB | O2N | B | 2281 | 3.59 | van der Waals | B | No SSE | 197 | THR | OG1 | PA | B | 2281 | 3.99 | | B | No SSE | 197 | THR | OG1 | O1A | B | 2281 | 3.13 | H.Bond | B | No SSE | 197 | THR | OG1 | O3 | B | 2281 | 3.44 | H.Bond | B | No SSE | 197 | THR | OG1 | PN | B | 2281 | 3.11 | | B | No SSE | 197 | THR | OG1 | O1N | B | 2281 | 3.72 | H.Bond | B | No SSE | 197 | THR | OG1 | O2N | B | 2281 | 3.69 | H.Bond | B | No SSE | 197 | THR | OG1 | N7N | B | 2281 | 3.31 | H.Bond | B | No SSE | 197 | THR | CG2 | PN | B | 2281 | 3.8 | | B | No SSE | 197 | THR | CG2 | O2N | B | 2281 | 3.59 | van der Waals | B | 198-203 H: 1 | 198 | GLY | N | PA | B | 2281 | 3.77 | | B | 198-203 H: 1 | 198 | GLY | N | O1A | B | 2281 | 2.89 | H.Bond | B | 198-203 H: 1 | 198 | GLY | CA | PA | B | 2281 | 3.91 | | B | 198-203 H: 1 | 198 | GLY | CA | O1A | B | 2281 | 3.51 | van der Waals | B | 198-203 H: 1 | 198 | GLY | C | PA | B | 2281 | 3.73 | | B | 198-203 H: 1 | 198 | GLY | C | O1A | B | 2281 | 3.8 | van der Waals | B | 198-203 H: 1 | 198 | GLY | C | O2A | B | 2281 | 3.33 | van der Waals | B | 198-203 H: 1 | 198 | GLY | O | O2A | B | 2281 | 3.74 | H.Bond | B | 198-203 H: 1 | 199 | PHE | N | PA | B | 2281 | 3.5 | | B | 198-203 H: 1 | 199 | PHE | N | O1A | B | 2281 | 3.55 | H.Bond | B | 198-203 H: 1 | 199 | PHE | N | O2A | B | 2281 | 2.96 | H.Bond | B | 198-203 H: 1 | 199 | PHE | N | O3 | B | 2281 | 3.79 | H.Bond | B | 198-203 H: 1 | 199 | PHE | CA | O2A | B | 2281 | 3.08 | van der Waals | B | 198-203 H: 1 | 199 | PHE | CB | O2A | B | 2281 | 3.76 | van der Waals | B | 198-203 H: 1 | 199 | PHE | CB | O3 | B | 2281 | 3.99 | van der Waals | B | 198-203 H: 1 | 199 | PHE | CB | N7N | B | 2281 | 3.21 | H.Bond | B | 198-203 H: 1 | 199 | PHE | CG | N7N | B | 2281 | 3.54 | H.Bond | B | 198-203 H: 1 | 199 | PHE | CD1 | O2A | B | 2281 | 3.96 | van der Waals | B | 198-203 H: 1 | 199 | PHE | CE1 | C2D | B | 2281 | 3.72 | van der Waals | B | 198-203 H: 1 | 199 | PHE | CE1 | O2D | B | 2281 | 3.86 | van der Waals | B | Water | 2286 | HOH | O | C4N | B | 2281 | 3.49 | van der Waals | B | Water | 2286 | HOH | O | C5N | B | 2281 | 3.11 | van der Waals | B | Water | 2286 | HOH | O | C6N | B | 2281 | 3.63 | van der Waals | B | Water | 2298 | HOH | O | C2A | B | 2281 | 3.16 | van der Waals | B | Water | 2298 | HOH | O | N3A | B | 2281 | 2.78 | H.Bond | B | Water | 2298 | HOH | O | C4A | B | 2281 | 3.94 | van der Waals | B | Water | 2311 | HOH | O | O5B | B | 2281 | 3.36 | H.Bond | B | Water | 2311 | HOH | O | C4B | B | 2281 | 3.67 | van der Waals | B | Water | 2311 | HOH | O | PN | B | 2281 | 3.72 | | B | Water | 2311 | HOH | O | O2N | B | 2281 | 2.81 | H.Bond | B | Water | 2311 | HOH | O | O5D | B | 2281 | 2.95 | H.Bond | B | Water | 2313 | HOH | O | N6A | B | 2281 | 3.2 | H.Bond | B | Water | 2334 | HOH | O | C7N | B | 2281 | 3.65 | van der Waals | B | Water | 2334 | HOH | O | O7N | B | 2281 | 3.15 | H.Bond | B | Water | 2334 | HOH | O | N7N | B | 2281 | 3.56 | H.Bond | B | Water | 2341 | HOH | O | PA | B | 2281 | 3.35 | | B | Water | 2341 | HOH | O | O2A | B | 2281 | 3.42 | H.Bond | B | Water | 2341 | HOH | O | O5B | B | 2281 | 3.92 | H.Bond | B | Water | 2352 | HOH | O | C2B | B | 2281 | 3.89 | van der Waals | B | Water | 2352 | HOH | O | P2B | B | 2281 | 3.88 | | B | Water | 2352 | HOH | O | O2X | B | 2281 | 2.51 | H.Bond | B | Water | 2352 | HOH | O | O3X | B | 2281 | 3.71 | H.Bond | B | Water | 2367 | HOH | O | PA | B | 2281 | 3.86 | | B | Water | 2367 | HOH | O | O2A | B | 2281 | 2.6 | H.Bond | B | Water | 2367 | HOH | O | C5B | B | 2281 | 3.6 | van der Waals | B | Water | 2367 | HOH | O | O3 | B | 2281 | 3.96 | H.Bond | B | Water | 2383 | HOH | O | C5B | B | 2281 | 3.68 | van der Waals | B | Water | 2383 | HOH | O | C8A | B | 2281 | 3.27 | van der Waals | B | Water | 2383 | HOH | O | N7A | B | 2281 | 3.98 | H.Bond | B | Water | 2405 | HOH | O | C8A | B | 2281 | 3.56 | van der Waals | B | Water | 2405 | HOH | O | N7A | B | 2281 | 2.73 | H.Bond | B | Water | 2405 | HOH | O | C5A | B | 2281 | 3.77 | van der Waals | B | Water | 2409 | HOH | O | O1X | B | 2281 | 3.87 | H.Bond | B | Water | 2409 | HOH | O | O2X | B | 2281 | 3.85 | H.Bond | B | Water | 2409 | HOH | O | O3X | B | 2281 | 3.27 | H.Bond | B | Water | 2430 | HOH | O | C2A | B | 2281 | 3.51 | van der Waals | |
| 3 / C |
> Structure: LLLHSLHLLLLLLLHSLHHSLLLLH
+12w
> Sequence: GSSNGIGRSRADVTNAGLVSSYKPGMVTGF
|
NDP /(3281) |
[+] |
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> Graphics rep1:
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[+] |
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> Graphics rep2:
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Protein Chain | Prot SSE | Res Nbr | Res Name | RsAt.Name | LgAt.Name |
Lg Chain | Lg Nbr | Bnd Len | Bnd Type |
---|
C | No SSE | 13 | GLY | CA | C4B | C | 3281 | 3.81 | van der Waals | C | No SSE | 13 | GLY | CA | O4B | C | 3281 | 3.48 | van der Waals | C | No SSE | 13 | GLY | CA | C3B | C | 3281 | 3.73 | van der Waals | C | No SSE | 13 | GLY | CA | O3B | C | 3281 | 2.88 | van der Waals | C | No SSE | 13 | GLY | CA | C1B | C | 3281 | 3.65 | van der Waals | C | No SSE | 13 | GLY | C | C3B | C | 3281 | 3.92 | van der Waals | C | No SSE | 13 | GLY | C | O3B | C | 3281 | 2.72 | van der Waals | C | No SSE | 13 | GLY | O | C4B | C | 3281 | 3.82 | van der Waals | C | No SSE | 13 | GLY | O | C3B | C | 3281 | 3.77 | van der Waals | C | No SSE | 13 | GLY | O | O3B | C | 3281 | 2.7 | H.Bond | C | No SSE | 14 | SER | N | O3B | C | 3281 | 3.48 | H.Bond | C | No SSE | 15 | SER | N | O3B | C | 3281 | 3.26 | H.Bond | C | No SSE | 15 | SER | CA | O3B | C | 3281 | 3.94 | van der Waals | C | No SSE | 15 | SER | C | O3B | C | 3281 | 3.94 | van der Waals | C | No SSE | 15 | SER | OG | C3B | C | 3281 | 3.64 | van der Waals | C | No SSE | 15 | SER | OG | O3B | C | 3281 | 3.09 | H.Bond | C | No SSE | 15 | SER | OG | C2B | C | 3281 | 3.85 | van der Waals | C | No SSE | 15 | SER | OG | O2B | C | 3281 | 3.05 | H.Bond | C | No SSE | 15 | SER | OG | P2B | C | 3281 | 2.97 | | C | No SSE | 15 | SER | OG | O1X | C | 3281 | 3.12 | H.Bond | C | 16-29 H: 1 | 16 | ASN | N | O3B | C | 3281 | 3.56 | H.Bond | C | 16-29 H: 1 | 16 | ASN | C | O1A | C | 3281 | 3.9 | van der Waals | C | 16-29 H: 1 | 16 | ASN | ND2 | O1A | C | 3281 | 3.93 | H.Bond | C | 16-29 H: 1 | 17 | GLY | N | O1A | C | 3281 | 3.46 | H.Bond | C | 16-29 H: 1 | 17 | GLY | CA | O1A | C | 3281 | 3.4 | van der Waals | C | 16-29 H: 1 | 17 | GLY | CA | O2N | C | 3281 | 3.26 | van der Waals | C | 16-29 H: 1 | 17 | GLY | C | O2N | C | 3281 | 3.46 | van der Waals | C | 16-29 H: 1 | 18 | ILE | N | O2N | C | 3281 | 2.73 | H.Bond | C | 16-29 H: 1 | 18 | ILE | CA | O2N | C | 3281 | 3.75 | van der Waals | C | 16-29 H: 1 | 18 | ILE | CB | O2N | C | 3281 | 3.66 | van der Waals | C | 16-29 H: 1 | 18 | ILE | CG1 | O2N | C | 3281 | 3.66 | van der Waals | C | 16-29 H: 1 | 18 | ILE | CD1 | O1N | C | 3281 | 3.32 | van der Waals | C | 16-29 H: 1 | 18 | ILE | CD1 | O2N | C | 3281 | 3.81 | van der Waals | C | 16-29 H: 1 | 18 | ILE | CD1 | O4D | C | 3281 | 3.77 | van der Waals | C | 32-37 S: 1 | 37 | GLY | CA | O1X | C | 3281 | 3.84 | van der Waals | C | 32-37 S: 1 | 37 | GLY | C | O1X | C | 3281 | 3.61 | van der Waals | C | No SSE | 38 | ARG | N | P2B | C | 3281 | 3.75 | | C | No SSE | 38 | ARG | N | O1X | C | 3281 | 2.63 | H.Bond | C | No SSE | 38 | ARG | N | O3X | C | 3281 | 3.58 | H.Bond | C | No SSE | 38 | ARG | CA | O1X | C | 3281 | 3.3 | van der Waals | C | No SSE | 38 | ARG | C | O1X | C | 3281 | 3.42 | van der Waals | C | No SSE | 38 | ARG | CB | O1X | C | 3281 | 3.51 | van der Waals | C | No SSE | 38 | ARG | CB | O3X | C | 3281 | 3.61 | van der Waals | C | No SSE | 38 | ARG | CG | N1A | C | 3281 | 3.84 | H.Bond | C | No SSE | 38 | ARG | CG | C2A | C | 3281 | 3.78 | van der Waals | C | No SSE | 38 | ARG | CG | O3X | C | 3281 | 3.7 | van der Waals | C | No SSE | 38 | ARG | CD | C5A | C | 3281 | 3.73 | van der Waals | C | No SSE | 38 | ARG | CD | C6A | C | 3281 | 3.53 | van der Waals | C | No SSE | 38 | ARG | CD | N1A | C | 3281 | 3.53 | H.Bond | C | No SSE | 38 | ARG | CD | C2A | C | 3281 | 3.7 | van der Waals | C | No SSE | 38 | ARG | CD | N3A | C | 3281 | 3.91 | H.Bond | C | No SSE | 38 | ARG | CD | C4A | C | 3281 | 3.87 | van der Waals | C | No SSE | 38 | ARG | CD | O3X | C | 3281 | 3.09 | van der Waals | C | No SSE | 38 | ARG | NE | C5A | C | 3281 | 3.99 | H.Bond | C | No SSE | 38 | ARG | NE | C6A | C | 3281 | 3.48 | H.Bond | C | No SSE | 38 | ARG | NE | N6A | C | 3281 | 3.51 | H.Bond | C | No SSE | 38 | ARG | NE | N1A | C | 3281 | 3.72 | H.Bond | C | No SSE | 38 | ARG | CZ | C6A | C | 3281 | 3.76 | van der Waals | C | No SSE | 38 | ARG | CZ | N6A | C | 3281 | 3.54 | H.Bond | C | No SSE | 38 | ARG | NH1 | N7A | C | 3281 | 3.78 | H.Bond | C | No SSE | 38 | ARG | NH1 | C5A | C | 3281 | 3.89 | H.Bond | C | No SSE | 38 | ARG | NH2 | N6A | C | 3281 | 3.73 | H.Bond | C | 39-52 H: 1 | 39 | SER | N | O1X | C | 3281 | 2.64 | H.Bond | C | 39-52 H: 1 | 39 | SER | CA | O1X | C | 3281 | 3.65 | van der Waals | C | 39-52 H: 1 | 39 | SER | CB | O1X | C | 3281 | 3.58 | van der Waals | C | 39-52 H: 1 | 42 | ARG | CZ | O2X | C | 3281 | 3.54 | van der Waals | C | 39-52 H: 1 | 42 | ARG | NH1 | P2B | C | 3281 | 3.61 | | C | 39-52 H: 1 | 42 | ARG | NH1 | O1X | C | 3281 | 3.95 | H.Bond | C | 39-52 H: 1 | 42 | ARG | NH1 | O2X | C | 3281 | 3.46 | H.Bond | C | 39-52 H: 1 | 42 | ARG | NH2 | P2B | C | 3281 | 3.61 | | C | 39-52 H: 1 | 42 | ARG | NH2 | O2X | C | 3281 | 2.76 | H.Bond | C | No SSE | 65 | ALA | O | C2A | C | 3281 | 3.58 | van der Waals | C | No SSE | 66 | ASP | CA | N1A | C | 3281 | 3.72 | H.Bond | C | No SSE | 66 | ASP | C | N1A | C | 3281 | 3.86 | H.Bond | C | No SSE | 66 | ASP | OD1 | N6A | C | 3281 | 3.44 | H.Bond | C | No SSE | 66 | ASP | OD1 | N1A | C | 3281 | 3.68 | H.Bond | C | No SSE | 67 | VAL | N | N1A | C | 3281 | 3.1 | H.Bond | C | No SSE | 67 | VAL | N | C2A | C | 3281 | 3.42 | H.Bond | C | No SSE | 67 | VAL | CB | N1A | C | 3281 | 3.9 | H.Bond | C | No SSE | 67 | VAL | CB | C2A | C | 3281 | 3.77 | van der Waals | C | No SSE | 67 | VAL | CG1 | N1A | C | 3281 | 3.56 | H.Bond | C | No SSE | 67 | VAL | CG1 | C2A | C | 3281 | 3.71 | van der Waals | C | No SSE | 68 | THR | CG2 | N6A | C | 3281 | 3.83 | H.Bond | C | No SSE | 93 | ASN | C | O3D | C | 3281 | 3.74 | van der Waals | C | No SSE | 93 | ASN | O | C4D | C | 3281 | 3.15 | van der Waals | C | No SSE | 93 | ASN | O | C3D | C | 3281 | 3.33 | van der Waals | C | No SSE | 93 | ASN | O | O3D | C | 3281 | 2.68 | H.Bond | C | No SSE | 94 | ALA | CA | O4B | C | 3281 | 3.54 | van der Waals | C | No SSE | 94 | ALA | C | O3D | C | 3281 | 3.69 | van der Waals | C | No SSE | 94 | ALA | O | O3D | C | 3281 | 3.67 | H.Bond | C | No SSE | 94 | ALA | CB | O4B | C | 3281 | 3.75 | van der Waals | C | No SSE | 95 | GLY | N | O4B | C | 3281 | 3.72 | H.Bond | C | No SSE | 95 | GLY | N | C3D | C | 3281 | 3.53 | H.Bond | C | No SSE | 95 | GLY | N | O3D | C | 3281 | 3.55 | H.Bond | C | No SSE | 95 | GLY | CA | C3D | C | 3281 | 3.29 | van der Waals | C | No SSE | 95 | GLY | CA | O3D | C | 3281 | 3.41 | van der Waals | C | No SSE | 95 | GLY | C | C3D | C | 3281 | 3.39 | van der Waals | C | No SSE | 95 | GLY | O | C5B | C | 3281 | 3.8 | van der Waals | C | No SSE | 95 | GLY | O | C5D | C | 3281 | 3.25 | van der Waals | C | No SSE | 95 | GLY | O | C4D | C | 3281 | 3.88 | van der Waals | C | No SSE | 95 | GLY | O | C3D | C | 3281 | 3.46 | van der Waals | C | 110-122 H: 1 | 120 | LEU | CD1 | N7A | C | 3281 | 3.73 | H.Bond | C | 110-122 H: 1 | 120 | LEU | CD1 | C5A | C | 3281 | 3.76 | van der Waals | C | 110-122 H: 1 | 120 | LEU | CD1 | C6A | C | 3281 | 3.93 | van der Waals | C | 110-122 H: 1 | 120 | LEU | CD2 | C8A | C | 3281 | 3.99 | van der Waals | C | 110-122 H: 1 | 120 | LEU | CD2 | N7A | C | 3281 | 3.37 | H.Bond | C | 142-146 S: 1 | 146 | VAL | O | O3D | C | 3281 | 3.74 | H.Bond | C | 142-146 S: 1 | 146 | VAL | CG1 | C1D | C | 3281 | 3.88 | van der Waals | C | No SSE | 147 | SER | O | C5N | C | 3281 | 3.96 | van der Waals | C | No SSE | 147 | SER | O | C6N | C | 3281 | 3.1 | van der Waals | C | 148-152 H: 5 | 148 | SER | CB | C5N | C | 3281 | 3.62 | van der Waals | C | 148-152 H: 5 | 148 | SER | CB | C6N | C | 3281 | 3.63 | van der Waals | C | 148-152 H: 5 | 148 | SER | OG | C5N | C | 3281 | 3.47 | van der Waals | C | 148-152 H: 5 | 148 | SER | OG | C6N | C | 3281 | 3.98 | van der Waals | C | 159-181 H: 1 | 162 | TYR | CE1 | O2D | C | 3281 | 3.39 | van der Waals | C | 159-181 H: 1 | 162 | TYR | CZ | O2D | C | 3281 | 3.34 | van der Waals | C | 159-181 H: 1 | 162 | TYR | OH | C2D | C | 3281 | 3.45 | van der Waals | C | 159-181 H: 1 | 162 | TYR | OH | O2D | C | 3281 | 2.45 | H.Bond | C | 159-181 H: 1 | 162 | TYR | OH | N1N | C | 3281 | 3.77 | H.Bond | C | 159-181 H: 1 | 162 | TYR | OH | C6N | C | 3281 | 3.58 | van der Waals | C | 159-181 H: 1 | 166 | LYS | CE | O2D | C | 3281 | 3 | van der Waals | C | 159-181 H: 1 | 166 | LYS | NZ | C3D | C | 3281 | 3.89 | H.Bond | C | 159-181 H: 1 | 166 | LYS | NZ | O3D | C | 3281 | 3.11 | H.Bond | C | 159-181 H: 1 | 166 | LYS | NZ | C2D | C | 3281 | 3.81 | H.Bond | C | 159-181 H: 1 | 166 | LYS | NZ | O2D | C | 3281 | 2.91 | H.Bond | C | 186-192 S: 1 | 192 | PRO | C | C5N | C | 3281 | 3.93 | van der Waals | C | 186-192 S: 1 | 192 | PRO | O | C4N | C | 3281 | 3.93 | van der Waals | C | 186-192 S: 1 | 192 | PRO | O | C5N | C | 3281 | 3.44 | van der Waals | C | 186-192 S: 1 | 192 | PRO | CB | C4N | C | 3281 | 3.99 | van der Waals | C | 186-192 S: 1 | 192 | PRO | CB | C5N | C | 3281 | 3.67 | van der Waals | C | 186-192 S: 1 | 192 | PRO | CD | C6N | C | 3281 | 3.85 | van der Waals | C | No SSE | 193 | GLY | O | C3N | C | 3281 | 3.98 | van der Waals | C | No SSE | 193 | GLY | O | O7N | C | 3281 | 3.48 | H.Bond | C | No SSE | 193 | GLY | O | C4N | C | 3281 | 3.11 | van der Waals | C | No SSE | 193 | GLY | O | C5N | C | 3281 | 3.9 | van der Waals | C | No SSE | 194 | MET | CA | O7N | C | 3281 | 3.54 | van der Waals | C | No SSE | 194 | MET | C | O7N | C | 3281 | 3.67 | van der Waals | C | No SSE | 195 | VAL | N | C7N | C | 3281 | 3.67 | H.Bond | C | No SSE | 195 | VAL | N | O7N | C | 3281 | 2.91 | H.Bond | C | No SSE | 195 | VAL | CA | O7N | C | 3281 | 3.89 | van der Waals | C | No SSE | 195 | VAL | O | C7N | C | 3281 | 3.6 | van der Waals | C | No SSE | 195 | VAL | O | O7N | C | 3281 | 3.46 | H.Bond | C | No SSE | 195 | VAL | O | N7N | C | 3281 | 3.19 | H.Bond | C | No SSE | 195 | VAL | CG1 | C3N | C | 3281 | 3.97 | van der Waals | C | No SSE | 195 | VAL | CG1 | C7N | C | 3281 | 3.32 | van der Waals | C | No SSE | 195 | VAL | CG1 | O7N | C | 3281 | 3.66 | van der Waals | C | No SSE | 195 | VAL | CG1 | N7N | C | 3281 | 3.19 | H.Bond | C | No SSE | 197 | THR | CB | O1A | C | 3281 | 3.35 | van der Waals | C | No SSE | 197 | THR | CB | PN | C | 3281 | 3.58 | | C | No SSE | 197 | THR | CB | O2N | C | 3281 | 3.62 | van der Waals | C | No SSE | 197 | THR | OG1 | O1A | C | 3281 | 3.33 | H.Bond | C | No SSE | 197 | THR | OG1 | O3 | C | 3281 | 3.52 | H.Bond | C | No SSE | 197 | THR | OG1 | PN | C | 3281 | 3.15 | | C | No SSE | 197 | THR | OG1 | O1N | C | 3281 | 3.68 | H.Bond | C | No SSE | 197 | THR | OG1 | O2N | C | 3281 | 3.76 | H.Bond | C | No SSE | 197 | THR | OG1 | N7N | C | 3281 | 3.28 | H.Bond | C | No SSE | 197 | THR | CG2 | PN | C | 3281 | 3.84 | | C | No SSE | 197 | THR | CG2 | O2N | C | 3281 | 3.65 | van der Waals | C | 198-204 H: 1 | 198 | GLY | N | PA | C | 3281 | 3.82 | | C | 198-204 H: 1 | 198 | GLY | N | O1A | C | 3281 | 2.99 | H.Bond | C | 198-204 H: 1 | 198 | GLY | CA | PA | C | 3281 | 3.95 | | C | 198-204 H: 1 | 198 | GLY | CA | O1A | C | 3281 | 3.58 | van der Waals | C | 198-204 H: 1 | 198 | GLY | C | PA | C | 3281 | 3.76 | | C | 198-204 H: 1 | 198 | GLY | C | O1A | C | 3281 | 3.85 | van der Waals | C | 198-204 H: 1 | 198 | GLY | C | O2A | C | 3281 | 3.27 | van der Waals | C | 198-204 H: 1 | 198 | GLY | O | O2A | C | 3281 | 3.64 | H.Bond | C | 198-204 H: 1 | 199 | PHE | N | PA | C | 3281 | 3.56 | | C | 198-204 H: 1 | 199 | PHE | N | O1A | C | 3281 | 3.63 | H.Bond | C | 198-204 H: 1 | 199 | PHE | N | O2A | C | 3281 | 2.95 | H.Bond | C | 198-204 H: 1 | 199 | PHE | N | O3 | C | 3281 | 3.72 | H.Bond | C | 198-204 H: 1 | 199 | PHE | CA | O2A | C | 3281 | 3.09 | van der Waals | C | 198-204 H: 1 | 199 | PHE | CA | O3 | C | 3281 | 3.95 | van der Waals | C | 198-204 H: 1 | 199 | PHE | CB | O2A | C | 3281 | 3.86 | van der Waals | C | 198-204 H: 1 | 199 | PHE | CB | N7N | C | 3281 | 3.21 | H.Bond | C | 198-204 H: 1 | 199 | PHE | CG | N7N | C | 3281 | 3.54 | H.Bond | C | 198-204 H: 1 | 199 | PHE | CD1 | O2A | C | 3281 | 3.99 | van der Waals | C | 198-204 H: 1 | 199 | PHE | CD1 | O3 | C | 3281 | 3.93 | van der Waals | C | 198-204 H: 1 | 199 | PHE | CE1 | C2D | C | 3281 | 3.66 | van der Waals | C | 198-204 H: 1 | 199 | PHE | CE1 | O2D | C | 3281 | 3.91 | van der Waals | C | Water | 3302 | HOH | O | O5B | C | 3281 | 3.45 | H.Bond | C | Water | 3302 | HOH | O | C4B | C | 3281 | 3.83 | van der Waals | C | Water | 3302 | HOH | O | PN | C | 3281 | 3.68 | | C | Water | 3302 | HOH | O | O2N | C | 3281 | 2.7 | H.Bond | C | Water | 3302 | HOH | O | O5D | C | 3281 | 2.96 | H.Bond | C | Water | 3309 | HOH | O | PA | C | 3281 | 3.24 | | C | Water | 3309 | HOH | O | O1A | C | 3281 | 3.99 | H.Bond | C | Water | 3309 | HOH | O | O2A | C | 3281 | 3.24 | H.Bond | C | Water | 3309 | HOH | O | O5B | C | 3281 | 3.91 | H.Bond | C | Water | 3313 | HOH | O | C2A | C | 3281 | 3.36 | van der Waals | C | Water | 3313 | HOH | O | N3A | C | 3281 | 2.94 | H.Bond | C | Water | 3317 | HOH | O | C4N | C | 3281 | 3.34 | van der Waals | C | Water | 3317 | HOH | O | C5N | C | 3281 | 2.95 | van der Waals | C | Water | 3317 | HOH | O | C6N | C | 3281 | 3.46 | van der Waals | C | Water | 3319 | HOH | O | PA | C | 3281 | 3.79 | | C | Water | 3319 | HOH | O | O2A | C | 3281 | 2.55 | H.Bond | C | Water | 3319 | HOH | O | C5B | C | 3281 | 3.6 | van der Waals | C | Water | 3319 | HOH | O | O3 | C | 3281 | 3.72 | H.Bond | C | Water | 3343 | HOH | O | N7A | C | 3281 | 3.15 | H.Bond | C | Water | 3348 | HOH | O | C5B | C | 3281 | 3.71 | van der Waals | C | Water | 3348 | HOH | O | C8A | C | 3281 | 3.13 | van der Waals | C | Water | 3348 | HOH | O | N7A | C | 3281 | 3.78 | H.Bond | C | Water | 3349 | HOH | O | C7N | C | 3281 | 3.63 | van der Waals | C | Water | 3349 | HOH | O | O7N | C | 3281 | 3.04 | H.Bond | C | Water | 3349 | HOH | O | N7N | C | 3281 | 3.67 | H.Bond | C | Water | 3357 | HOH | O | C5B | C | 3281 | 3.97 | van der Waals | C | Water | 3357 | HOH | O | C2B | C | 3281 | 3.85 | van der Waals | C | Water | 3357 | HOH | O | P2B | C | 3281 | 3.94 | | C | Water | 3357 | HOH | O | O2X | C | 3281 | 2.55 | H.Bond | C | Water | 3357 | HOH | O | O3X | C | 3281 | 3.96 | H.Bond | C | Water | 3359 | HOH | O | C2A | C | 3281 | 3.51 | van der Waals | C | Water | 3359 | HOH | O | N3A | C | 3281 | 3.91 | H.Bond | C | Water | 3362 | HOH | O | O3D | C | 3281 | 3.75 | H.Bond | C | Water | 3376 | HOH | O | O7N | C | 3281 | 3.86 | H.Bond | C | Water | 3376 | HOH | O | C4N | C | 3281 | 3.63 | van der Waals | |
| 4 / D |
> Structure: LLLHSLHLLLLLLLHSLHHSLLLLH
+13w
> Sequence: GSSNGIGRSRADVTNAGLVSSYKPGMVTGF
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NDP /(4281) |
[+] |
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> Graphics rep1:
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[+] |
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> Graphics rep2:
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[+] |
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Protein Chain | Prot SSE | Res Nbr | Res Name | RsAt.Name | LgAt.Name |
Lg Chain | Lg Nbr | Bnd Len | Bnd Type |
---|
D | No SSE | 13 | GLY | CA | C4B | D | 4281 | 3.77 | van der Waals | D | No SSE | 13 | GLY | CA | O4B | D | 4281 | 3.44 | van der Waals | D | No SSE | 13 | GLY | CA | C3B | D | 4281 | 3.77 | van der Waals | D | No SSE | 13 | GLY | CA | O3B | D | 4281 | 2.96 | van der Waals | D | No SSE | 13 | GLY | CA | C1B | D | 4281 | 3.68 | van der Waals | D | No SSE | 13 | GLY | C | C3B | D | 4281 | 3.89 | van der Waals | D | No SSE | 13 | GLY | C | O3B | D | 4281 | 2.73 | van der Waals | D | No SSE | 13 | GLY | O | C4B | D | 4281 | 3.75 | van der Waals | D | No SSE | 13 | GLY | O | C3B | D | 4281 | 3.74 | van der Waals | D | No SSE | 13 | GLY | O | O3B | D | 4281 | 2.72 | H.Bond | D | No SSE | 14 | SER | N | O3B | D | 4281 | 3.43 | H.Bond | D | No SSE | 15 | SER | N | O3B | D | 4281 | 3.22 | H.Bond | D | No SSE | 15 | SER | CA | O3B | D | 4281 | 3.93 | van der Waals | D | No SSE | 15 | SER | C | O3B | D | 4281 | 3.97 | van der Waals | D | No SSE | 15 | SER | OG | C3B | D | 4281 | 3.68 | van der Waals | D | No SSE | 15 | SER | OG | O3B | D | 4281 | 3.12 | H.Bond | D | No SSE | 15 | SER | OG | C2B | D | 4281 | 3.87 | van der Waals | D | No SSE | 15 | SER | OG | O2B | D | 4281 | 3.05 | H.Bond | D | No SSE | 15 | SER | OG | P2B | D | 4281 | 2.84 | | D | No SSE | 15 | SER | OG | O1X | D | 4281 | 3 | H.Bond | D | No SSE | 15 | SER | OG | O2X | D | 4281 | 3.87 | H.Bond | D | 16-29 H: 1 | 16 | ASN | N | O3B | D | 4281 | 3.4 | H.Bond | D | 16-29 H: 1 | 16 | ASN | C | O1A | D | 4281 | 3.88 | van der Waals | D | 16-29 H: 1 | 16 | ASN | O | O3B | D | 4281 | 3.97 | H.Bond | D | 16-29 H: 1 | 17 | GLY | N | O1A | D | 4281 | 3.48 | H.Bond | D | 16-29 H: 1 | 17 | GLY | CA | O1A | D | 4281 | 3.36 | van der Waals | D | 16-29 H: 1 | 17 | GLY | CA | O2N | D | 4281 | 3.19 | van der Waals | D | 16-29 H: 1 | 17 | GLY | C | O2N | D | 4281 | 3.38 | van der Waals | D | 16-29 H: 1 | 18 | ILE | N | O2N | D | 4281 | 2.7 | H.Bond | D | 16-29 H: 1 | 18 | ILE | CA | O2N | D | 4281 | 3.7 | van der Waals | D | 16-29 H: 1 | 18 | ILE | CB | O2N | D | 4281 | 3.61 | van der Waals | D | 16-29 H: 1 | 18 | ILE | CG1 | O2N | D | 4281 | 3.66 | van der Waals | D | 16-29 H: 1 | 18 | ILE | CD1 | O1N | D | 4281 | 3.5 | van der Waals | D | 16-29 H: 1 | 18 | ILE | CD1 | O4D | D | 4281 | 3.84 | van der Waals | D | 32-37 S: 1 | 37 | GLY | CA | O2B | D | 4281 | 3.98 | van der Waals | D | 32-37 S: 1 | 37 | GLY | CA | O1X | D | 4281 | 3.92 | van der Waals | D | 32-37 S: 1 | 37 | GLY | C | O1X | D | 4281 | 3.65 | van der Waals | D | No SSE | 38 | ARG | N | O2B | D | 4281 | 3.94 | H.Bond | D | No SSE | 38 | ARG | N | P2B | D | 4281 | 3.77 | | D | No SSE | 38 | ARG | N | O1X | D | 4281 | 2.7 | H.Bond | D | No SSE | 38 | ARG | N | O3X | D | 4281 | 3.6 | H.Bond | D | No SSE | 38 | ARG | CA | O1X | D | 4281 | 3.3 | van der Waals | D | No SSE | 38 | ARG | C | O1X | D | 4281 | 3.33 | van der Waals | D | No SSE | 38 | ARG | CB | O1X | D | 4281 | 3.58 | van der Waals | D | No SSE | 38 | ARG | CB | O3X | D | 4281 | 3.66 | van der Waals | D | No SSE | 38 | ARG | CD | C6A | D | 4281 | 3.55 | van der Waals | D | No SSE | 38 | ARG | CD | N6A | D | 4281 | 3.82 | H.Bond | D | No SSE | 38 | ARG | CD | N1A | D | 4281 | 3.15 | H.Bond | D | No SSE | 38 | ARG | CD | C2A | D | 4281 | 3.63 | van der Waals | D | No SSE | 38 | ARG | NE | C6A | D | 4281 | 3.42 | H.Bond | D | No SSE | 38 | ARG | NE | N6A | D | 4281 | 3.38 | H.Bond | D | No SSE | 38 | ARG | NE | N1A | D | 4281 | 3.6 | H.Bond | D | No SSE | 38 | ARG | CZ | C5A | D | 4281 | 3.63 | van der Waals | D | No SSE | 38 | ARG | CZ | C6A | D | 4281 | 3.46 | van der Waals | D | No SSE | 38 | ARG | CZ | N6A | D | 4281 | 3.58 | H.Bond | D | No SSE | 38 | ARG | CZ | N1A | D | 4281 | 3.99 | H.Bond | D | No SSE | 38 | ARG | CZ | O3X | D | 4281 | 3.81 | van der Waals | D | No SSE | 38 | ARG | NH1 | O2B | D | 4281 | 3.98 | H.Bond | D | No SSE | 38 | ARG | NH1 | N7A | D | 4281 | 3.72 | H.Bond | D | No SSE | 38 | ARG | NH1 | C5A | D | 4281 | 3.33 | H.Bond | D | No SSE | 38 | ARG | NH1 | C6A | D | 4281 | 3.55 | H.Bond | D | No SSE | 38 | ARG | NH1 | N1A | D | 4281 | 3.96 | H.Bond | D | No SSE | 38 | ARG | NH1 | C4A | D | 4281 | 3.56 | H.Bond | D | No SSE | 38 | ARG | NH1 | P2B | D | 4281 | 3.96 | | D | No SSE | 38 | ARG | NH1 | O3X | D | 4281 | 2.52 | H.Bond | D | No SSE | 38 | ARG | NH2 | N6A | D | 4281 | 3.91 | H.Bond | D | 39-53 H: 1 | 39 | SER | N | P2B | D | 4281 | 3.96 | | D | 39-53 H: 1 | 39 | SER | N | O1X | D | 4281 | 2.5 | H.Bond | D | 39-53 H: 1 | 39 | SER | CA | O1X | D | 4281 | 3.49 | van der Waals | D | 39-53 H: 1 | 39 | SER | CB | O1X | D | 4281 | 3.41 | van der Waals | D | 39-53 H: 1 | 42 | ARG | CZ | P2B | D | 4281 | 3.97 | | D | 39-53 H: 1 | 42 | ARG | CZ | O2X | D | 4281 | 3.32 | van der Waals | D | 39-53 H: 1 | 42 | ARG | NH1 | P2B | D | 4281 | 3.37 | | D | 39-53 H: 1 | 42 | ARG | NH1 | O1X | D | 4281 | 3.8 | H.Bond | D | 39-53 H: 1 | 42 | ARG | NH1 | O2X | D | 4281 | 3.05 | H.Bond | D | 39-53 H: 1 | 42 | ARG | NH2 | P2B | D | 4281 | 3.66 | | D | 39-53 H: 1 | 42 | ARG | NH2 | O1X | D | 4281 | 3.99 | H.Bond | D | 39-53 H: 1 | 42 | ARG | NH2 | O2X | D | 4281 | 2.75 | H.Bond | D | No SSE | 65 | ALA | O | N1A | D | 4281 | 3.94 | H.Bond | D | No SSE | 65 | ALA | O | C2A | D | 4281 | 3.52 | van der Waals | D | No SSE | 66 | ASP | CA | N1A | D | 4281 | 3.48 | H.Bond | D | No SSE | 66 | ASP | C | N1A | D | 4281 | 3.67 | H.Bond | D | No SSE | 66 | ASP | CG | N6A | D | 4281 | 3.7 | H.Bond | D | No SSE | 66 | ASP | OD1 | C6A | D | 4281 | 3.71 | van der Waals | D | No SSE | 66 | ASP | OD1 | N6A | D | 4281 | 2.99 | H.Bond | D | No SSE | 66 | ASP | OD1 | N1A | D | 4281 | 3.4 | H.Bond | D | No SSE | 67 | VAL | N | N1A | D | 4281 | 2.93 | H.Bond | D | No SSE | 67 | VAL | N | C2A | D | 4281 | 3.36 | H.Bond | D | No SSE | 67 | VAL | CA | N1A | D | 4281 | 3.93 | H.Bond | D | No SSE | 67 | VAL | CB | N1A | D | 4281 | 3.89 | H.Bond | D | No SSE | 67 | VAL | CB | C2A | D | 4281 | 3.83 | van der Waals | D | No SSE | 67 | VAL | CG1 | N1A | D | 4281 | 3.72 | H.Bond | D | No SSE | 67 | VAL | CG1 | C2A | D | 4281 | 3.92 | van der Waals | D | No SSE | 68 | THR | CG2 | N6A | D | 4281 | 3.57 | H.Bond | D | No SSE | 93 | ASN | C | O3D | D | 4281 | 3.79 | van der Waals | D | No SSE | 93 | ASN | O | C4D | D | 4281 | 3.18 | van der Waals | D | No SSE | 93 | ASN | O | C3D | D | 4281 | 3.28 | van der Waals | D | No SSE | 93 | ASN | O | O3D | D | 4281 | 2.69 | H.Bond | D | No SSE | 93 | ASN | OD1 | C4D | D | 4281 | 3.91 | van der Waals | D | No SSE | 94 | ALA | CA | O4B | D | 4281 | 3.52 | van der Waals | D | No SSE | 94 | ALA | C | O3D | D | 4281 | 3.79 | van der Waals | D | No SSE | 94 | ALA | O | O3D | D | 4281 | 3.78 | H.Bond | D | No SSE | 94 | ALA | CB | O4B | D | 4281 | 3.72 | van der Waals | D | No SSE | 95 | GLY | N | O4B | D | 4281 | 3.8 | H.Bond | D | No SSE | 95 | GLY | N | C3D | D | 4281 | 3.59 | H.Bond | D | No SSE | 95 | GLY | N | O3D | D | 4281 | 3.64 | H.Bond | D | No SSE | 95 | GLY | CA | C3D | D | 4281 | 3.34 | van der Waals | D | No SSE | 95 | GLY | CA | O3D | D | 4281 | 3.46 | van der Waals | D | No SSE | 95 | GLY | C | C3D | D | 4281 | 3.52 | van der Waals | D | No SSE | 95 | GLY | O | C5B | D | 4281 | 3.9 | van der Waals | D | No SSE | 95 | GLY | O | C5D | D | 4281 | 3.41 | van der Waals | D | No SSE | 95 | GLY | O | C3D | D | 4281 | 3.52 | van der Waals | D | 110-122 H: 1 | 120 | LEU | CD1 | N7A | D | 4281 | 3.68 | H.Bond | D | 110-122 H: 1 | 120 | LEU | CD1 | C5A | D | 4281 | 3.75 | van der Waals | D | 110-122 H: 1 | 120 | LEU | CD1 | C6A | D | 4281 | 3.95 | van der Waals | D | 110-122 H: 1 | 120 | LEU | CD2 | N7A | D | 4281 | 3.48 | H.Bond | D | 142-146 S: 1 | 146 | VAL | O | O3D | D | 4281 | 3.72 | H.Bond | D | 142-146 S: 1 | 146 | VAL | CG1 | O4D | D | 4281 | 3.85 | van der Waals | D | 142-146 S: 1 | 146 | VAL | CG1 | C1D | D | 4281 | 3.83 | van der Waals | D | No SSE | 147 | SER | O | C1D | D | 4281 | 3.97 | van der Waals | D | No SSE | 147 | SER | O | N1N | D | 4281 | 3.99 | H.Bond | D | No SSE | 147 | SER | O | C6N | D | 4281 | 3.12 | van der Waals | D | 148-152 H: 5 | 148 | SER | CB | C5N | D | 4281 | 3.65 | van der Waals | D | 148-152 H: 5 | 148 | SER | CB | C6N | D | 4281 | 3.58 | van der Waals | D | 148-152 H: 5 | 148 | SER | OG | C5N | D | 4281 | 3.42 | van der Waals | D | 148-152 H: 5 | 148 | SER | OG | C6N | D | 4281 | 3.86 | van der Waals | D | 159-182 H: 1 | 162 | TYR | CE1 | O2D | D | 4281 | 3.5 | van der Waals | D | 159-182 H: 1 | 162 | TYR | CZ | O2D | D | 4281 | 3.42 | van der Waals | D | 159-182 H: 1 | 162 | TYR | OH | C2D | D | 4281 | 3.59 | van der Waals | D | 159-182 H: 1 | 162 | TYR | OH | O2D | D | 4281 | 2.51 | H.Bond | D | 159-182 H: 1 | 162 | TYR | OH | N1N | D | 4281 | 3.88 | H.Bond | D | 159-182 H: 1 | 162 | TYR | OH | C6N | D | 4281 | 3.61 | van der Waals | D | 159-182 H: 1 | 166 | LYS | CE | O2D | D | 4281 | 3.09 | van der Waals | D | 159-182 H: 1 | 166 | LYS | NZ | C3D | D | 4281 | 3.86 | H.Bond | D | 159-182 H: 1 | 166 | LYS | NZ | O3D | D | 4281 | 3.1 | H.Bond | D | 159-182 H: 1 | 166 | LYS | NZ | C2D | D | 4281 | 3.81 | H.Bond | D | 159-182 H: 1 | 166 | LYS | NZ | O2D | D | 4281 | 2.91 | H.Bond | D | 186-192 S: 1 | 192 | PRO | C | C5N | D | 4281 | 3.97 | van der Waals | D | 186-192 S: 1 | 192 | PRO | O | C5N | D | 4281 | 3.45 | van der Waals | D | 186-192 S: 1 | 192 | PRO | CB | C5N | D | 4281 | 3.87 | van der Waals | D | 186-192 S: 1 | 192 | PRO | CD | C6N | D | 4281 | 3.9 | van der Waals | D | No SSE | 193 | GLY | O | C3N | D | 4281 | 3.86 | van der Waals | D | No SSE | 193 | GLY | O | C7N | D | 4281 | 3.99 | van der Waals | D | No SSE | 193 | GLY | O | O7N | D | 4281 | 3.42 | H.Bond | D | No SSE | 193 | GLY | O | C4N | D | 4281 | 3.04 | van der Waals | D | No SSE | 193 | GLY | O | C5N | D | 4281 | 3.81 | van der Waals | D | No SSE | 194 | MET | CA | O7N | D | 4281 | 3.49 | van der Waals | D | No SSE | 194 | MET | C | O7N | D | 4281 | 3.54 | van der Waals | D | No SSE | 195 | VAL | N | C7N | D | 4281 | 3.48 | H.Bond | D | No SSE | 195 | VAL | N | O7N | D | 4281 | 2.74 | H.Bond | D | No SSE | 195 | VAL | CA | O7N | D | 4281 | 3.67 | van der Waals | D | No SSE | 195 | VAL | C | O7N | D | 4281 | 3.96 | van der Waals | D | No SSE | 195 | VAL | C | N7N | D | 4281 | 3.93 | H.Bond | D | No SSE | 195 | VAL | O | C7N | D | 4281 | 3.52 | van der Waals | D | No SSE | 195 | VAL | O | O7N | D | 4281 | 3.37 | H.Bond | D | No SSE | 195 | VAL | O | N7N | D | 4281 | 3.06 | H.Bond | D | No SSE | 195 | VAL | CB | C7N | D | 4281 | 3.84 | van der Waals | D | No SSE | 195 | VAL | CB | O7N | D | 4281 | 3.89 | van der Waals | D | No SSE | 195 | VAL | CB | N7N | D | 4281 | 3.87 | H.Bond | D | No SSE | 197 | THR | C | O1A | D | 4281 | 3.92 | van der Waals | D | No SSE | 197 | THR | CB | O1A | D | 4281 | 3.14 | van der Waals | D | No SSE | 197 | THR | CB | PN | D | 4281 | 3.47 | | D | No SSE | 197 | THR | CB | O2N | D | 4281 | 3.44 | van der Waals | D | No SSE | 197 | THR | OG1 | PA | D | 4281 | 3.99 | | D | No SSE | 197 | THR | OG1 | O1A | D | 4281 | 3.14 | H.Bond | D | No SSE | 197 | THR | OG1 | O3 | D | 4281 | 3.42 | H.Bond | D | No SSE | 197 | THR | OG1 | PN | D | 4281 | 3.07 | | D | No SSE | 197 | THR | OG1 | O1N | D | 4281 | 3.67 | H.Bond | D | No SSE | 197 | THR | OG1 | O2N | D | 4281 | 3.63 | H.Bond | D | No SSE | 197 | THR | OG1 | N7N | D | 4281 | 3.3 | H.Bond | D | No SSE | 197 | THR | CG2 | PN | D | 4281 | 3.65 | | D | No SSE | 197 | THR | CG2 | O2N | D | 4281 | 3.4 | van der Waals | D | 198-203 H: 1 | 198 | GLY | N | PA | D | 4281 | 3.72 | | D | 198-203 H: 1 | 198 | GLY | N | O1A | D | 4281 | 2.87 | H.Bond | D | 198-203 H: 1 | 198 | GLY | CA | PA | D | 4281 | 3.87 | | D | 198-203 H: 1 | 198 | GLY | CA | O1A | D | 4281 | 3.51 | van der Waals | D | 198-203 H: 1 | 198 | GLY | C | PA | D | 4281 | 3.7 | | D | 198-203 H: 1 | 198 | GLY | C | O1A | D | 4281 | 3.79 | van der Waals | D | 198-203 H: 1 | 198 | GLY | C | O2A | D | 4281 | 3.28 | van der Waals | D | 198-203 H: 1 | 198 | GLY | O | O2A | D | 4281 | 3.67 | H.Bond | D | 198-203 H: 1 | 199 | PHE | N | PA | D | 4281 | 3.5 | | D | 198-203 H: 1 | 199 | PHE | N | O1A | D | 4281 | 3.56 | H.Bond | D | 198-203 H: 1 | 199 | PHE | N | O2A | D | 4281 | 2.96 | H.Bond | D | 198-203 H: 1 | 199 | PHE | N | O3 | D | 4281 | 3.76 | H.Bond | D | 198-203 H: 1 | 199 | PHE | CA | O2A | D | 4281 | 3.1 | van der Waals | D | 198-203 H: 1 | 199 | PHE | CA | O3 | D | 4281 | 3.98 | van der Waals | D | 198-203 H: 1 | 199 | PHE | CB | O2A | D | 4281 | 3.78 | van der Waals | D | 198-203 H: 1 | 199 | PHE | CB | O3 | D | 4281 | 3.92 | van der Waals | D | 198-203 H: 1 | 199 | PHE | CB | N7N | D | 4281 | 3.33 | H.Bond | D | 198-203 H: 1 | 199 | PHE | CG | N7N | D | 4281 | 3.64 | H.Bond | D | 198-203 H: 1 | 199 | PHE | CD2 | O3 | D | 4281 | 3.99 | van der Waals | D | 198-203 H: 1 | 199 | PHE | CD2 | C2N | D | 4281 | 3.79 | van der Waals | D | 198-203 H: 1 | 199 | PHE | CD2 | N7N | D | 4281 | 3.97 | H.Bond | D | 198-203 H: 1 | 199 | PHE | CE2 | C2D | D | 4281 | 3.56 | van der Waals | D | 198-203 H: 1 | 199 | PHE | CE2 | O2D | D | 4281 | 3.67 | van der Waals | D | Water | 4286 | HOH | O | C4N | D | 4281 | 3.39 | van der Waals | D | Water | 4286 | HOH | O | C5N | D | 4281 | 2.95 | van der Waals | D | Water | 4286 | HOH | O | C6N | D | 4281 | 3.46 | van der Waals | D | Water | 4287 | HOH | O | O5B | D | 4281 | 3.24 | H.Bond | D | Water | 4287 | HOH | O | C4B | D | 4281 | 3.58 | van der Waals | D | Water | 4287 | HOH | O | PN | D | 4281 | 3.79 | | D | Water | 4287 | HOH | O | O2N | D | 4281 | 2.95 | H.Bond | D | Water | 4287 | HOH | O | O5D | D | 4281 | 2.94 | H.Bond | D | Water | 4287 | HOH | O | C5D | D | 4281 | 3.96 | van der Waals | D | Water | 4304 | HOH | O | C2A | D | 4281 | 3.22 | van der Waals | D | Water | 4304 | HOH | O | N3A | D | 4281 | 2.96 | H.Bond | D | Water | 4310 | HOH | O | C8A | D | 4281 | 3.72 | van der Waals | D | Water | 4310 | HOH | O | N7A | D | 4281 | 2.85 | H.Bond | D | Water | 4310 | HOH | O | C5A | D | 4281 | 3.84 | van der Waals | D | Water | 4310 | HOH | O | N6A | D | 4281 | 3.99 | H.Bond | D | Water | 4323 | HOH | O | PA | D | 4281 | 3.53 | | D | Water | 4323 | HOH | O | O2A | D | 4281 | 3.54 | H.Bond | D | Water | 4323 | HOH | O | O2X | D | 4281 | 3.82 | H.Bond | D | Water | 4326 | HOH | O | C2A | D | 4281 | 3.45 | van der Waals | D | Water | 4326 | HOH | O | N3A | D | 4281 | 3.98 | H.Bond | D | Water | 4327 | HOH | O | PA | D | 4281 | 3.79 | | D | Water | 4327 | HOH | O | O2A | D | 4281 | 2.52 | H.Bond | D | Water | 4327 | HOH | O | C5B | D | 4281 | 3.62 | van der Waals | D | Water | 4327 | HOH | O | O3 | D | 4281 | 3.77 | H.Bond | D | Water | 4335 | HOH | O | P2B | D | 4281 | 3.97 | | D | Water | 4335 | HOH | O | O2X | D | 4281 | 2.59 | H.Bond | D | Water | 4335 | HOH | O | O3X | D | 4281 | 3.81 | H.Bond | D | Water | 4367 | HOH | O | C5B | D | 4281 | 3.83 | van der Waals | D | Water | 4367 | HOH | O | C8A | D | 4281 | 3.36 | van der Waals | D | Water | 4368 | HOH | O | C7N | D | 4281 | 3.69 | van der Waals | D | Water | 4368 | HOH | O | O7N | D | 4281 | 3.25 | H.Bond | D | Water | 4368 | HOH | O | N7N | D | 4281 | 3.53 | H.Bond | D | Water | 4382 | HOH | O | N6A | D | 4281 | 2.92 | H.Bond | D | Water | 4402 | HOH | O | C4N | D | 4281 | 3.99 | van der Waals | D | Water | 4424 | HOH | O | N6A | D | 4281 | 3.67 | H.Bond | |
Nbr of Motifs per PDB entry | PDB Entry | Title | Determination Method | Resolution | R-Factor |
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2 | 4PVD | Crystal structure of yeast methylglyoxal/isovaleraldehyde reductase Gre2 complexed with NADPH | X-RAY | 2.40 | 0.245
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| Motif No./Chain | Motif | Bound Ligand /(Nbr. in PDB) | Show Details |
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| 1 / A |
> Structure: LLHLHLLLLLLLLSLHHSLSH
+5w
> Sequence: GNGFIRKPDITASPFTSSYKPVYVNS
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NDP /(401) |
[+] |
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> Graphics rep1:
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[+] |
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> Graphics rep2:
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[+] |
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Protein Chain | Prot SSE | Res Nbr | Res Name | RsAt.Name | LgAt.Name |
Lg Chain | Lg Nbr | Bnd Len | Bnd Type |
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A | No SSE | 7 | GLY | CA | O3B | A | 401 | 3.65 | van der Waals | A | No SSE | 7 | GLY | C | O3B | A | 401 | 3.75 | van der Waals | A | No SSE | 7 | GLY | O | O3B | A | 401 | 3.44 | H.Bond | A | No SSE | 9 | ASN | CG | O3B | A | 401 | 3.79 | van der Waals | A | No SSE | 9 | ASN | CG | O3X | A | 401 | 3.97 | van der Waals | A | No SSE | 9 | ASN | OD1 | O3B | A | 401 | 3 | H.Bond | A | No SSE | 9 | ASN | ND2 | P2B | A | 401 | 3.91 | | A | No SSE | 9 | ASN | ND2 | O2X | A | 401 | 3.6 | H.Bond | A | No SSE | 9 | ASN | ND2 | O3X | A | 401 | 3.14 | H.Bond | A | 10-23 H: 1 | 10 | GLY | N | O3B | A | 401 | 3.46 | H.Bond | A | 10-23 H: 1 | 10 | GLY | CA | O1A | A | 401 | 3.63 | van der Waals | A | 10-23 H: 1 | 10 | GLY | CA | O5B | A | 401 | 3.88 | van der Waals | A | 10-23 H: 1 | 10 | GLY | CA | O3B | A | 401 | 3.6 | van der Waals | A | 10-23 H: 1 | 10 | GLY | C | O1A | A | 401 | 3.79 | van der Waals | A | 10-23 H: 1 | 11 | PHE | N | O1A | A | 401 | 2.98 | H.Bond | A | 10-23 H: 1 | 11 | PHE | N | O1N | A | 401 | 3.19 | H.Bond | A | 10-23 H: 1 | 11 | PHE | CA | O1A | A | 401 | 3.9 | van der Waals | A | 10-23 H: 1 | 11 | PHE | CA | O1N | A | 401 | 3.65 | van der Waals | A | 10-23 H: 1 | 11 | PHE | C | O1N | A | 401 | 3.84 | van der Waals | A | 10-23 H: 1 | 11 | PHE | CB | O1A | A | 401 | 3.62 | van der Waals | A | 10-23 H: 1 | 11 | PHE | CB | O1N | A | 401 | 3.53 | van der Waals | A | 10-23 H: 1 | 12 | ILE | N | O1N | A | 401 | 3.04 | H.Bond | A | 10-23 H: 1 | 12 | ILE | CA | O1N | A | 401 | 3.98 | van der Waals | A | 10-23 H: 1 | 12 | ILE | CB | O1N | A | 401 | 3.73 | van der Waals | A | 10-23 H: 1 | 12 | ILE | CG1 | O1N | A | 401 | 3.62 | van der Waals | A | 10-23 H: 1 | 12 | ILE | CG1 | O2N | A | 401 | 3.95 | van der Waals | A | 10-23 H: 1 | 12 | ILE | CD1 | O2N | A | 401 | 3.78 | van der Waals | A | 10-23 H: 1 | 12 | ILE | CD1 | O4D | A | 401 | 3.46 | van der Waals | A | 10-23 H: 1 | 12 | ILE | CD1 | C2N | A | 401 | 3.67 | van der Waals | A | No SSE | 32 | ARG | CG | C2A | A | 401 | 3.63 | van der Waals | A | No SSE | 32 | ARG | CG | N3A | A | 401 | 3.7 | H.Bond | A | No SSE | 32 | ARG | CG | O2X | A | 401 | 3.99 | van der Waals | A | No SSE | 32 | ARG | CD | N1A | A | 401 | 3.7 | H.Bond | A | No SSE | 32 | ARG | CD | C2A | A | 401 | 3.45 | van der Waals | A | No SSE | 32 | ARG | CD | N3A | A | 401 | 3.73 | H.Bond | A | No SSE | 32 | ARG | NE | N3A | A | 401 | 3.98 | H.Bond | A | No SSE | 32 | ARG | NE | O1X | A | 401 | 3.84 | H.Bond | A | No SSE | 32 | ARG | NE | O2X | A | 401 | 3.88 | H.Bond | A | No SSE | 32 | ARG | CZ | C5A | A | 401 | 3.8 | van der Waals | A | No SSE | 32 | ARG | CZ | C6A | A | 401 | 3.82 | van der Waals | A | No SSE | 32 | ARG | NH1 | C5A | A | 401 | 3.76 | H.Bond | A | No SSE | 32 | ARG | NH1 | C6A | A | 401 | 3.33 | H.Bond | A | No SSE | 32 | ARG | NH1 | N6A | A | 401 | 3.51 | H.Bond | A | No SSE | 32 | ARG | NH1 | N1A | A | 401 | 3.66 | H.Bond | A | No SSE | 32 | ARG | NH2 | O1X | A | 401 | 3.48 | H.Bond | A | 33-44 H: 1 | 36 | LYS | CD | O2X | A | 401 | 3.63 | van der Waals | A | 33-44 H: 1 | 36 | LYS | CE | O2X | A | 401 | 3.36 | van der Waals | A | 33-44 H: 1 | 36 | LYS | NZ | P2B | A | 401 | 3.9 | | A | 33-44 H: 1 | 36 | LYS | NZ | O2X | A | 401 | 2.64 | H.Bond | A | No SSE | 56 | PRO | O | N1A | A | 401 | 3.87 | H.Bond | A | No SSE | 57 | ASP | CA | N1A | A | 401 | 3.46 | H.Bond | A | No SSE | 57 | ASP | C | N1A | A | 401 | 3.69 | H.Bond | A | No SSE | 57 | ASP | OD2 | N6A | A | 401 | 3.33 | H.Bond | A | No SSE | 57 | ASP | OD2 | N1A | A | 401 | 3.89 | H.Bond | A | No SSE | 58 | ILE | N | C6A | A | 401 | 3.84 | H.Bond | A | No SSE | 58 | ILE | N | N6A | A | 401 | 3.9 | H.Bond | A | No SSE | 58 | ILE | N | N1A | A | 401 | 2.97 | H.Bond | A | No SSE | 58 | ILE | N | C2A | A | 401 | 3.66 | H.Bond | A | No SSE | 58 | ILE | CA | N1A | A | 401 | 3.98 | H.Bond | A | No SSE | 58 | ILE | CB | N1A | A | 401 | 3.89 | H.Bond | A | No SSE | 58 | ILE | CG1 | C6A | A | 401 | 3.5 | van der Waals | A | No SSE | 58 | ILE | CG1 | N6A | A | 401 | 3.59 | H.Bond | A | No SSE | 58 | ILE | CG1 | N1A | A | 401 | 3.46 | H.Bond | A | No SSE | 58 | ILE | CG1 | C2A | A | 401 | 3.99 | van der Waals | A | No SSE | 58 | ILE | CG2 | N1A | A | 401 | 3.76 | H.Bond | A | No SSE | 58 | ILE | CG2 | C2A | A | 401 | 3.52 | van der Waals | A | No SSE | 81 | THR | C | O3D | A | 401 | 3.84 | van der Waals | A | No SSE | 81 | THR | O | C5D | A | 401 | 3.7 | van der Waals | A | No SSE | 81 | THR | O | C4D | A | 401 | 3.14 | van der Waals | A | No SSE | 81 | THR | O | C3D | A | 401 | 3.31 | van der Waals | A | No SSE | 81 | THR | O | O3D | A | 401 | 2.74 | H.Bond | A | No SSE | 82 | ALA | CA | O4B | A | 401 | 3.69 | van der Waals | A | No SSE | 82 | ALA | CB | O4B | A | 401 | 3.96 | van der Waals | A | No SSE | 83 | SER | N | O4B | A | 401 | 3.53 | H.Bond | A | No SSE | 83 | SER | N | O3D | A | 401 | 3.74 | H.Bond | A | No SSE | 83 | SER | CA | O3D | A | 401 | 3.93 | van der Waals | A | No SSE | 83 | SER | C | C8A | A | 401 | 3.61 | van der Waals | A | No SSE | 83 | SER | C | N7A | A | 401 | 3.99 | H.Bond | A | No SSE | 83 | SER | O | C5B | A | 401 | 3.79 | van der Waals | A | No SSE | 83 | SER | O | O4B | A | 401 | 3.64 | H.Bond | A | No SSE | 83 | SER | O | C8A | A | 401 | 3.51 | van der Waals | A | No SSE | 83 | SER | O | C3D | A | 401 | 3.99 | van der Waals | A | No SSE | 83 | SER | CB | C3D | A | 401 | 3.89 | van der Waals | A | No SSE | 83 | SER | CB | O3D | A | 401 | 3.07 | van der Waals | A | No SSE | 84 | PRO | N | C8A | A | 401 | 3.68 | H.Bond | A | No SSE | 84 | PRO | N | N7A | A | 401 | 3.65 | H.Bond | A | No SSE | 84 | PRO | CA | C8A | A | 401 | 3.67 | van der Waals | A | No SSE | 84 | PRO | CA | N7A | A | 401 | 3.67 | H.Bond | A | No SSE | 84 | PRO | CB | N7A | A | 401 | 3.93 | H.Bond | A | No SSE | 84 | PRO | CD | N7A | A | 401 | 3.92 | H.Bond | A | No SSE | 85 | PHE | CD2 | O2N | A | 401 | 3.88 | van der Waals | A | No SSE | 85 | PHE | CE2 | C2N | A | 401 | 3.98 | van der Waals | A | No SSE | 85 | PHE | CE2 | C3N | A | 401 | 3.87 | van der Waals | A | No SSE | 85 | PHE | CE2 | C7N | A | 401 | 3.54 | van der Waals | A | No SSE | 85 | PHE | CE2 | N7N | A | 401 | 3.52 | H.Bond | A | 121-125 S: 1 | 125 | THR | O | O3D | A | 401 | 3.92 | H.Bond | A | 121-125 S: 1 | 125 | THR | CG2 | C4D | A | 401 | 3.86 | van der Waals | A | 121-125 S: 1 | 125 | THR | CG2 | O4D | A | 401 | 3.32 | van der Waals | A | 121-125 S: 1 | 125 | THR | CG2 | C1D | A | 401 | 3.65 | van der Waals | A | No SSE | 126 | SER | O | C5N | A | 401 | 3.88 | van der Waals | A | No SSE | 126 | SER | O | C6N | A | 401 | 3.17 | van der Waals | A | 127-131 H: 5 | 127 | SER | CB | C5N | A | 401 | 3.71 | van der Waals | A | 127-131 H: 5 | 127 | SER | CB | C6N | A | 401 | 3.82 | van der Waals | A | 127-131 H: 5 | 127 | SER | OG | C5N | A | 401 | 3.36 | van der Waals | A | 127-131 H: 5 | 127 | SER | OG | C6N | A | 401 | 3.92 | van der Waals | A | 160-183 H: 1 | 165 | TYR | CZ | O2D | A | 401 | 3.93 | van der Waals | A | 160-183 H: 1 | 165 | TYR | OH | C2D | A | 401 | 3.75 | van der Waals | A | 160-183 H: 1 | 165 | TYR | OH | O2D | A | 401 | 2.98 | H.Bond | A | 160-183 H: 1 | 165 | TYR | OH | N1N | A | 401 | 3.96 | H.Bond | A | 160-183 H: 1 | 165 | TYR | OH | C6N | A | 401 | 3.99 | van der Waals | A | 160-183 H: 1 | 169 | LYS | CD | O2D | A | 401 | 3.32 | van der Waals | A | 160-183 H: 1 | 169 | LYS | CE | O2D | A | 401 | 2.99 | van der Waals | A | 160-183 H: 1 | 169 | LYS | NZ | C3D | A | 401 | 3.86 | H.Bond | A | 160-183 H: 1 | 169 | LYS | NZ | O3D | A | 401 | 2.94 | H.Bond | A | 160-183 H: 1 | 169 | LYS | NZ | C2D | A | 401 | 3.68 | H.Bond | A | 160-183 H: 1 | 169 | LYS | NZ | O2D | A | 401 | 2.71 | H.Bond | A | 190-196 S: 1 | 196 | PRO | C | C5N | A | 401 | 3.99 | van der Waals | A | 190-196 S: 1 | 196 | PRO | O | C4N | A | 401 | 3.79 | van der Waals | A | 190-196 S: 1 | 196 | PRO | O | C5N | A | 401 | 3.36 | van der Waals | A | 190-196 S: 1 | 196 | PRO | CB | C5N | A | 401 | 3.79 | van der Waals | A | 190-196 S: 1 | 196 | PRO | CD | C5N | A | 401 | 3.86 | van der Waals | A | No SSE | 197 | VAL | O | O7N | A | 401 | 3.53 | H.Bond | A | No SSE | 197 | VAL | O | C4N | A | 401 | 3.16 | van der Waals | A | 198-200 S: 0 | 198 | TYR | CA | O7N | A | 401 | 3.52 | van der Waals | A | 198-200 S: 0 | 198 | TYR | C | O7N | A | 401 | 3.62 | van der Waals | A | 198-200 S: 0 | 199 | VAL | N | C7N | A | 401 | 3.81 | H.Bond | A | 198-200 S: 0 | 199 | VAL | N | O7N | A | 401 | 2.79 | H.Bond | A | 198-200 S: 0 | 199 | VAL | CA | O7N | A | 401 | 3.67 | van der Waals | A | 198-200 S: 0 | 199 | VAL | CB | C7N | A | 401 | 3.63 | van der Waals | A | 198-200 S: 0 | 199 | VAL | CB | O7N | A | 401 | 3.53 | van der Waals | A | 198-200 S: 0 | 199 | VAL | CB | N7N | A | 401 | 3.72 | H.Bond | A | 198-200 S: 0 | 199 | VAL | CG2 | C3N | A | 401 | 3.76 | van der Waals | A | 198-200 S: 0 | 199 | VAL | CG2 | C7N | A | 401 | 3.48 | van der Waals | A | 198-200 S: 0 | 199 | VAL | CG2 | O7N | A | 401 | 3.48 | van der Waals | A | 198-200 S: 0 | 199 | VAL | CG2 | N7N | A | 401 | 3.98 | H.Bond | A | 198-200 S: 0 | 199 | VAL | CG2 | C4N | A | 401 | 3.8 | van der Waals | A | 214-224 H: 1 | 214 | ASN | CB | O1A | A | 401 | 3.98 | van der Waals | A | 214-224 H: 1 | 216 | SER | CB | C7N | A | 401 | 3.59 | van der Waals | A | 214-224 H: 1 | 216 | SER | CB | O7N | A | 401 | 3.11 | van der Waals | A | 214-224 H: 1 | 216 | SER | CB | N7N | A | 401 | 3.27 | H.Bond | A | 214-224 H: 1 | 216 | SER | OG | C7N | A | 401 | 3.72 | van der Waals | A | 214-224 H: 1 | 216 | SER | OG | O7N | A | 401 | 3.6 | H.Bond | A | 214-224 H: 1 | 216 | SER | OG | N7N | A | 401 | 2.98 | H.Bond | A | Water | 505 | HOH | O | O3 | A | 401 | 3.34 | H.Bond | A | Water | 505 | HOH | O | PN | A | 401 | 3.91 | | A | Water | 505 | HOH | O | O2N | A | 401 | 3.12 | H.Bond | A | Water | 505 | HOH | O | N7N | A | 401 | 3.39 | H.Bond | A | Water | 515 | HOH | O | C4N | A | 401 | 3.44 | van der Waals | A | Water | 515 | HOH | O | C5N | A | 401 | 3.35 | van der Waals | A | Water | 515 | HOH | O | C6N | A | 401 | 3.92 | van der Waals | A | Water | 523 | HOH | O | C4B | A | 401 | 3.37 | van der Waals | A | Water | 523 | HOH | O | O4B | A | 401 | 3.87 | H.Bond | A | Water | 523 | HOH | O | O3B | A | 401 | 3.88 | H.Bond | A | Water | 523 | HOH | O | C5D | A | 401 | 3.87 | van der Waals | A | Water | 524 | HOH | O | O3D | A | 401 | 3.59 | H.Bond | A | Water | 532 | HOH | O | O5B | A | 401 | 3.77 | H.Bond | A | Water | 532 | HOH | O | O1N | A | 401 | 2.78 | H.Bond | A | Water | 532 | HOH | O | C5D | A | 401 | 3.34 | van der Waals | |
| 2 / B |
> Structure: LLHLHLLLLLLLLSLHHSLSH
+5w
> Sequence: GNGFIRKPDITASPFTSSYKPVYVS
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NDP /(401) |
[+] |
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> Graphics rep1:
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[+] |
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> Graphics rep2:
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[+] |
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Protein Chain | Prot SSE | Res Nbr | Res Name | RsAt.Name | LgAt.Name |
Lg Chain | Lg Nbr | Bnd Len | Bnd Type |
---|
B | No SSE | 7 | GLY | CA | O3B | B | 401 | 3.68 | van der Waals | B | No SSE | 7 | GLY | C | O3B | B | 401 | 3.73 | van der Waals | B | No SSE | 7 | GLY | O | O3B | B | 401 | 3.36 | H.Bond | B | No SSE | 9 | ASN | CG | O3B | B | 401 | 3.76 | van der Waals | B | No SSE | 9 | ASN | OD1 | O3B | B | 401 | 2.93 | H.Bond | B | No SSE | 9 | ASN | ND2 | O1X | B | 401 | 3.54 | H.Bond | B | No SSE | 9 | ASN | ND2 | O2X | B | 401 | 3.56 | H.Bond | B | 10-23 H: 1 | 10 | GLY | N | O3B | B | 401 | 3.3 | H.Bond | B | 10-23 H: 1 | 10 | GLY | CA | O1A | B | 401 | 3.51 | van der Waals | B | 10-23 H: 1 | 10 | GLY | CA | O5B | B | 401 | 3.79 | van der Waals | B | 10-23 H: 1 | 10 | GLY | CA | C3B | B | 401 | 3.86 | van der Waals | B | 10-23 H: 1 | 10 | GLY | CA | O3B | B | 401 | 3.46 | van der Waals | B | 10-23 H: 1 | 10 | GLY | C | O1A | B | 401 | 3.65 | van der Waals | B | 10-23 H: 1 | 10 | GLY | C | O1N | B | 401 | 3.91 | van der Waals | B | 10-23 H: 1 | 11 | PHE | N | O1A | B | 401 | 2.84 | H.Bond | B | 10-23 H: 1 | 11 | PHE | N | O1N | B | 401 | 3.11 | H.Bond | B | 10-23 H: 1 | 11 | PHE | CA | O1A | B | 401 | 3.78 | van der Waals | B | 10-23 H: 1 | 11 | PHE | CA | O1N | B | 401 | 3.5 | van der Waals | B | 10-23 H: 1 | 11 | PHE | C | O1N | B | 401 | 3.73 | van der Waals | B | 10-23 H: 1 | 11 | PHE | CB | O1A | B | 401 | 3.53 | van der Waals | B | 10-23 H: 1 | 11 | PHE | CB | O1N | B | 401 | 3.33 | van der Waals | B | 10-23 H: 1 | 12 | ILE | N | O1N | B | 401 | 2.98 | H.Bond | B | 10-23 H: 1 | 12 | ILE | CA | O1N | B | 401 | 3.99 | van der Waals | B | 10-23 H: 1 | 12 | ILE | CB | O1N | B | 401 | 3.85 | van der Waals | B | 10-23 H: 1 | 12 | ILE | CG1 | O1N | B | 401 | 3.71 | van der Waals | B | 10-23 H: 1 | 12 | ILE | CD1 | O2N | B | 401 | 3.9 | van der Waals | B | 10-23 H: 1 | 12 | ILE | CD1 | O4D | B | 401 | 3.39 | van der Waals | B | 10-23 H: 1 | 12 | ILE | CD1 | C2N | B | 401 | 3.74 | van der Waals | B | No SSE | 32 | ARG | CG | C2A | B | 401 | 3.68 | van der Waals | B | No SSE | 32 | ARG | CG | N3A | B | 401 | 3.71 | H.Bond | B | No SSE | 32 | ARG | CG | O1X | B | 401 | 3.93 | van der Waals | B | No SSE | 32 | ARG | CD | N1A | B | 401 | 3.96 | H.Bond | B | No SSE | 32 | ARG | CD | C2A | B | 401 | 3.6 | van der Waals | B | No SSE | 32 | ARG | CD | N3A | B | 401 | 3.8 | H.Bond | B | No SSE | 32 | ARG | NE | O2B | B | 401 | 3.87 | H.Bond | B | No SSE | 32 | ARG | NE | N3A | B | 401 | 3.96 | H.Bond | B | No SSE | 32 | ARG | NE | P2B | B | 401 | 3.75 | | B | No SSE | 32 | ARG | NE | O1X | B | 401 | 3.54 | H.Bond | B | No SSE | 32 | ARG | NE | O3X | B | 401 | 3.27 | H.Bond | B | No SSE | 32 | ARG | CZ | C5A | B | 401 | 3.87 | van der Waals | B | No SSE | 32 | ARG | CZ | O3X | B | 401 | 3.36 | van der Waals | B | No SSE | 32 | ARG | NH1 | C5A | B | 401 | 3.71 | H.Bond | B | No SSE | 32 | ARG | NH1 | C6A | B | 401 | 3.47 | H.Bond | B | No SSE | 32 | ARG | NH1 | N6A | B | 401 | 3.59 | H.Bond | B | No SSE | 32 | ARG | NH1 | N1A | B | 401 | 3.8 | H.Bond | B | No SSE | 32 | ARG | NH2 | P2B | B | 401 | 3.9 | | B | No SSE | 32 | ARG | NH2 | O3X | B | 401 | 2.64 | H.Bond | B | 33-44 H: 1 | 36 | LYS | CD | O1X | B | 401 | 3.65 | van der Waals | B | 33-44 H: 1 | 36 | LYS | CE | O1X | B | 401 | 3.41 | van der Waals | B | 33-44 H: 1 | 36 | LYS | NZ | P2B | B | 401 | 3.85 | | B | 33-44 H: 1 | 36 | LYS | NZ | O1X | B | 401 | 2.69 | H.Bond | B | No SSE | 56 | PRO | O | N1A | B | 401 | 3.92 | H.Bond | B | No SSE | 56 | PRO | O | C2A | B | 401 | 3.91 | van der Waals | B | No SSE | 57 | ASP | CA | N1A | B | 401 | 3.52 | H.Bond | B | No SSE | 57 | ASP | C | N1A | B | 401 | 3.74 | H.Bond | B | No SSE | 57 | ASP | OD2 | N6A | B | 401 | 3.46 | H.Bond | B | No SSE | 57 | ASP | OD2 | N1A | B | 401 | 3.83 | H.Bond | B | No SSE | 58 | ILE | N | C6A | B | 401 | 3.93 | H.Bond | B | No SSE | 58 | ILE | N | N1A | B | 401 | 2.99 | H.Bond | B | No SSE | 58 | ILE | N | C2A | B | 401 | 3.58 | H.Bond | B | No SSE | 58 | ILE | CA | N1A | B | 401 | 3.99 | H.Bond | B | No SSE | 58 | ILE | CB | N1A | B | 401 | 3.88 | H.Bond | B | No SSE | 58 | ILE | CG1 | C5A | B | 401 | 3.97 | van der Waals | B | No SSE | 58 | ILE | CG1 | C6A | B | 401 | 3.36 | van der Waals | B | No SSE | 58 | ILE | CG1 | N6A | B | 401 | 3.61 | H.Bond | B | No SSE | 58 | ILE | CG1 | N1A | B | 401 | 3.36 | H.Bond | B | No SSE | 58 | ILE | CG1 | C2A | B | 401 | 3.97 | van der Waals | B | No SSE | 58 | ILE | CG2 | N1A | B | 401 | 3.85 | H.Bond | B | No SSE | 58 | ILE | CG2 | C2A | B | 401 | 3.62 | van der Waals | B | No SSE | 58 | ILE | CD1 | C5A | B | 401 | 3.88 | van der Waals | B | No SSE | 58 | ILE | CD1 | C6A | B | 401 | 3.8 | van der Waals | B | No SSE | 81 | THR | C | O3D | B | 401 | 3.81 | van der Waals | B | No SSE | 81 | THR | O | C5D | B | 401 | 3.7 | van der Waals | B | No SSE | 81 | THR | O | C4D | B | 401 | 3.12 | van der Waals | B | No SSE | 81 | THR | O | C3D | B | 401 | 3.26 | van der Waals | B | No SSE | 81 | THR | O | O3D | B | 401 | 2.72 | H.Bond | B | No SSE | 82 | ALA | CA | O4B | B | 401 | 3.57 | van der Waals | B | No SSE | 82 | ALA | CB | O4B | B | 401 | 3.83 | van der Waals | B | No SSE | 83 | SER | N | O4B | B | 401 | 3.56 | H.Bond | B | No SSE | 83 | SER | N | O3D | B | 401 | 3.79 | H.Bond | B | No SSE | 83 | SER | CA | O3D | B | 401 | 3.99 | van der Waals | B | No SSE | 83 | SER | C | C8A | B | 401 | 3.58 | van der Waals | B | No SSE | 83 | SER | C | N7A | B | 401 | 3.92 | H.Bond | B | No SSE | 83 | SER | O | C5B | B | 401 | 3.72 | van der Waals | B | No SSE | 83 | SER | O | O4B | B | 401 | 3.76 | H.Bond | B | No SSE | 83 | SER | O | C8A | B | 401 | 3.49 | van der Waals | B | No SSE | 83 | SER | O | C3D | B | 401 | 3.95 | van der Waals | B | No SSE | 83 | SER | CB | C3D | B | 401 | 3.92 | van der Waals | B | No SSE | 83 | SER | CB | O3D | B | 401 | 3.12 | van der Waals | B | No SSE | 84 | PRO | N | C8A | B | 401 | 3.65 | H.Bond | B | No SSE | 84 | PRO | N | N7A | B | 401 | 3.56 | H.Bond | B | No SSE | 84 | PRO | CA | C8A | B | 401 | 3.62 | van der Waals | B | No SSE | 84 | PRO | CA | N7A | B | 401 | 3.57 | H.Bond | B | No SSE | 84 | PRO | CB | N7A | B | 401 | 3.82 | H.Bond | B | No SSE | 84 | PRO | CD | N7A | B | 401 | 3.95 | H.Bond | B | No SSE | 85 | PHE | CD1 | O2N | B | 401 | 3.78 | van der Waals | B | No SSE | 85 | PHE | CE1 | C2N | B | 401 | 3.93 | van der Waals | B | No SSE | 85 | PHE | CE1 | C3N | B | 401 | 3.89 | van der Waals | B | No SSE | 85 | PHE | CE1 | C7N | B | 401 | 3.54 | van der Waals | B | No SSE | 85 | PHE | CE1 | N7N | B | 401 | 3.44 | H.Bond | B | 121-125 S: 1 | 125 | THR | O | O3D | B | 401 | 3.98 | H.Bond | B | 121-125 S: 1 | 125 | THR | CG2 | C4D | B | 401 | 3.8 | van der Waals | B | 121-125 S: 1 | 125 | THR | CG2 | O4D | B | 401 | 3.26 | van der Waals | B | 121-125 S: 1 | 125 | THR | CG2 | C1D | B | 401 | 3.64 | van der Waals | B | No SSE | 126 | SER | O | C5N | B | 401 | 3.7 | van der Waals | B | No SSE | 126 | SER | O | C6N | B | 401 | 3.02 | van der Waals | B | 127-131 H: 5 | 127 | SER | CA | C5N | B | 401 | 3.9 | van der Waals | B | 127-131 H: 5 | 127 | SER | CB | C5N | B | 401 | 3.47 | van der Waals | B | 127-131 H: 5 | 127 | SER | CB | C6N | B | 401 | 3.66 | van der Waals | B | 127-131 H: 5 | 127 | SER | OG | C5N | B | 401 | 3.18 | van der Waals | B | 127-131 H: 5 | 127 | SER | OG | C6N | B | 401 | 3.83 | van der Waals | B | 160-183 H: 1 | 165 | TYR | CE1 | O2D | B | 401 | 3.71 | van der Waals | B | 160-183 H: 1 | 165 | TYR | CZ | O2D | B | 401 | 3.68 | van der Waals | B | 160-183 H: 1 | 165 | TYR | OH | C2D | B | 401 | 3.59 | van der Waals | B | 160-183 H: 1 | 165 | TYR | OH | O2D | B | 401 | 2.77 | H.Bond | B | 160-183 H: 1 | 165 | TYR | OH | N1N | B | 401 | 3.72 | H.Bond | B | 160-183 H: 1 | 165 | TYR | OH | C6N | B | 401 | 3.74 | van der Waals | B | 160-183 H: 1 | 169 | LYS | CD | O2D | B | 401 | 3.26 | van der Waals | B | 160-183 H: 1 | 169 | LYS | CE | O2D | B | 401 | 3.05 | van der Waals | B | 160-183 H: 1 | 169 | LYS | NZ | C3D | B | 401 | 3.9 | H.Bond | B | 160-183 H: 1 | 169 | LYS | NZ | O3D | B | 401 | 2.91 | H.Bond | B | 160-183 H: 1 | 169 | LYS | NZ | C2D | B | 401 | 3.75 | H.Bond | B | 160-183 H: 1 | 169 | LYS | NZ | O2D | B | 401 | 2.85 | H.Bond | B | 190-196 S: 1 | 196 | PRO | C | C5N | B | 401 | 3.92 | van der Waals | B | 190-196 S: 1 | 196 | PRO | O | C4N | B | 401 | 3.6 | van der Waals | B | 190-196 S: 1 | 196 | PRO | O | C5N | B | 401 | 3.19 | van der Waals | B | 190-196 S: 1 | 196 | PRO | CB | C5N | B | 401 | 3.89 | van der Waals | B | 190-196 S: 1 | 196 | PRO | CD | C5N | B | 401 | 3.87 | van der Waals | B | No SSE | 197 | VAL | O | O7N | B | 401 | 3.4 | H.Bond | B | No SSE | 197 | VAL | O | C4N | B | 401 | 3.07 | van der Waals | B | 198-200 S: 0 | 198 | TYR | CA | O7N | B | 401 | 3.37 | van der Waals | B | 198-200 S: 0 | 198 | TYR | C | O7N | B | 401 | 3.46 | van der Waals | B | 198-200 S: 0 | 199 | VAL | N | C7N | B | 401 | 3.68 | H.Bond | B | 198-200 S: 0 | 199 | VAL | N | O7N | B | 401 | 2.7 | H.Bond | B | 198-200 S: 0 | 199 | VAL | CA | O7N | B | 401 | 3.63 | van der Waals | B | 198-200 S: 0 | 199 | VAL | CB | C7N | B | 401 | 3.56 | van der Waals | B | 198-200 S: 0 | 199 | VAL | CB | O7N | B | 401 | 3.54 | van der Waals | B | 198-200 S: 0 | 199 | VAL | CB | N7N | B | 401 | 3.6 | H.Bond | B | 198-200 S: 0 | 199 | VAL | CG2 | C3N | B | 401 | 3.72 | van der Waals | B | 198-200 S: 0 | 199 | VAL | CG2 | C7N | B | 401 | 3.44 | van der Waals | B | 198-200 S: 0 | 199 | VAL | CG2 | O7N | B | 401 | 3.48 | van der Waals | B | 198-200 S: 0 | 199 | VAL | CG2 | N7N | B | 401 | 3.91 | H.Bond | B | 198-200 S: 0 | 199 | VAL | CG2 | C4N | B | 401 | 3.77 | van der Waals | B | 214-225 H: 1 | 216 | SER | CB | C7N | B | 401 | 3.6 | van der Waals | B | 214-225 H: 1 | 216 | SER | CB | O7N | B | 401 | 3.22 | van der Waals | B | 214-225 H: 1 | 216 | SER | CB | N7N | B | 401 | 3.2 | H.Bond | B | 214-225 H: 1 | 216 | SER | OG | C7N | B | 401 | 3.73 | van der Waals | B | 214-225 H: 1 | 216 | SER | OG | O7N | B | 401 | 3.72 | H.Bond | B | 214-225 H: 1 | 216 | SER | OG | N7N | B | 401 | 2.91 | H.Bond | B | Water | 502 | HOH | O | O2B | B | 401 | 3.91 | H.Bond | B | Water | 502 | HOH | O | C1B | B | 401 | 3.93 | van der Waals | B | Water | 502 | HOH | O | C2A | B | 401 | 3.9 | van der Waals | B | Water | 502 | HOH | O | N3A | B | 401 | 3.2 | H.Bond | B | Water | 509 | HOH | O | O5B | B | 401 | 3.96 | H.Bond | B | Water | 509 | HOH | O | C5B | B | 401 | 3.99 | van der Waals | B | Water | 509 | HOH | O | C4B | B | 401 | 3.13 | van der Waals | B | Water | 509 | HOH | O | O4B | B | 401 | 3.68 | H.Bond | B | Water | 509 | HOH | O | O3B | B | 401 | 3.71 | H.Bond | B | Water | 511 | HOH | O | O2B | B | 401 | 3.13 | H.Bond | B | Water | 511 | HOH | O | P2B | B | 401 | 3.47 | | B | Water | 511 | HOH | O | O1X | B | 401 | 2.6 | H.Bond | B | Water | 512 | HOH | O | C4N | B | 401 | 3.3 | van der Waals | B | Water | 512 | HOH | O | C5N | B | 401 | 3.27 | van der Waals | B | Water | 512 | HOH | O | C6N | B | 401 | 3.91 | van der Waals | B | Water | 513 | HOH | O | O3 | B | 401 | 3.21 | H.Bond | B | Water | 513 | HOH | O | PN | B | 401 | 3.6 | | B | Water | 513 | HOH | O | O2N | B | 401 | 2.75 | H.Bond | B | Water | 513 | HOH | O | N7N | B | 401 | 3.37 | H.Bond | |
Nbr of Motifs per PDB entry | PDB Entry | Title | Determination Method | Resolution | R-Factor |
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2 | 1IPE | TROPINONE REDUCTASE-II COMPLEXED WITH NADPH | X-RAY | 2.50 | 0.195
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| Motif No./Chain | Motif | Bound Ligand /(Nbr. in PDB) | Show Details |
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| 1 / A |
> Structure: LLLHSLHLLLLLLLHSLLHSLLLLH
+1w
> Sequence: GSRGISRECDLNAGIIISSYKPGVITSLV
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NDP /(261) |
[+] |
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> Graphics rep1:
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> Graphics rep2:
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Protein Chain | Prot SSE | Res Nbr | Res Name | RsAt.Name | LgAt.Name |
Lg Chain | Lg Nbr | Bnd Len | Bnd Type |
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A | No SSE | 16 | GLY | CA | C4B | A | 261 | 3.98 | van der Waals | A | No SSE | 16 | GLY | CA | O4B | A | 261 | 3.53 | van der Waals | A | No SSE | 16 | GLY | CA | O3B | A | 261 | 3.65 | van der Waals | A | No SSE | 16 | GLY | CA | C1B | A | 261 | 3.61 | van der Waals | A | No SSE | 16 | GLY | C | O3B | A | 261 | 3.54 | van der Waals | A | No SSE | 16 | GLY | O | C4B | A | 261 | 3.74 | van der Waals | A | No SSE | 16 | GLY | O | O3B | A | 261 | 3.67 | H.Bond | A | No SSE | 18 | SER | N | O3B | A | 261 | 3.45 | H.Bond | A | No SSE | 18 | SER | CA | O3B | A | 261 | 3.95 | van der Waals | A | No SSE | 18 | SER | CB | O3B | A | 261 | 3.82 | van der Waals | A | No SSE | 18 | SER | OG | C3B | A | 261 | 3.87 | van der Waals | A | No SSE | 18 | SER | OG | O3B | A | 261 | 2.74 | H.Bond | A | No SSE | 18 | SER | OG | O2B | A | 261 | 3.74 | H.Bond | A | No SSE | 19 | ARG | N | O3B | A | 261 | 3.5 | H.Bond | A | No SSE | 19 | ARG | C | O2A | A | 261 | 3.89 | van der Waals | A | No SSE | 19 | ARG | O | O5B | A | 261 | 3.67 | H.Bond | A | No SSE | 19 | ARG | O | O2N | A | 261 | 3.64 | H.Bond | A | No SSE | 19 | ARG | CB | O2A | A | 261 | 3.83 | van der Waals | A | No SSE | 19 | ARG | CZ | O1X | A | 261 | 3.74 | van der Waals | A | No SSE | 19 | ARG | CZ | O2X | A | 261 | 3.56 | van der Waals | A | No SSE | 19 | ARG | NH1 | P2B | A | 261 | 3.9 | | A | No SSE | 19 | ARG | NH1 | O1X | A | 261 | 3.09 | H.Bond | A | No SSE | 19 | ARG | NH1 | O2X | A | 261 | 3.64 | H.Bond | A | No SSE | 19 | ARG | NH2 | O1A | A | 261 | 3.82 | H.Bond | A | No SSE | 19 | ARG | NH2 | C3B | A | 261 | 3.58 | H.Bond | A | No SSE | 19 | ARG | NH2 | C2B | A | 261 | 3.52 | H.Bond | A | No SSE | 19 | ARG | NH2 | O2B | A | 261 | 3.58 | H.Bond | A | No SSE | 19 | ARG | NH2 | P2B | A | 261 | 3.48 | | A | No SSE | 19 | ARG | NH2 | O1X | A | 261 | 3.67 | H.Bond | A | No SSE | 19 | ARG | NH2 | O2X | A | 261 | 2.65 | H.Bond | A | 20-31 H: 1 | 20 | GLY | N | O2A | A | 261 | 3.75 | H.Bond | A | 20-31 H: 1 | 20 | GLY | CA | O2A | A | 261 | 3.82 | van der Waals | A | 20-31 H: 1 | 20 | GLY | CA | O2N | A | 261 | 3.39 | van der Waals | A | 20-31 H: 1 | 20 | GLY | C | O2N | A | 261 | 3.64 | van der Waals | A | 20-31 H: 1 | 21 | ILE | N | O2N | A | 261 | 2.99 | H.Bond | A | 20-31 H: 1 | 21 | ILE | CA | O2N | A | 261 | 3.98 | van der Waals | A | 20-31 H: 1 | 21 | ILE | CB | O2N | A | 261 | 3.91 | van der Waals | A | 20-31 H: 1 | 21 | ILE | CD1 | O4D | A | 261 | 3.5 | van der Waals | A | 35-40 S: 1 | 40 | SER | CA | N3A | A | 261 | 3.87 | H.Bond | A | 35-40 S: 1 | 40 | SER | CB | O2B | A | 261 | 3.96 | van der Waals | A | 35-40 S: 1 | 40 | SER | OG | O2B | A | 261 | 3.52 | H.Bond | A | 35-40 S: 1 | 40 | SER | OG | P2B | A | 261 | 3.72 | | A | 35-40 S: 1 | 40 | SER | OG | O1X | A | 261 | 3 | H.Bond | A | 35-40 S: 1 | 40 | SER | OG | O3X | A | 261 | 3.8 | H.Bond | A | No SSE | 41 | ARG | N | P2B | A | 261 | 3.92 | | A | No SSE | 41 | ARG | N | O1X | A | 261 | 3.89 | H.Bond | A | No SSE | 41 | ARG | N | O3X | A | 261 | 2.99 | H.Bond | A | No SSE | 41 | ARG | CA | O3X | A | 261 | 3.51 | van der Waals | A | No SSE | 41 | ARG | CB | O3X | A | 261 | 2.93 | van der Waals | A | No SSE | 41 | ARG | CG | N1A | A | 261 | 3.88 | H.Bond | A | No SSE | 41 | ARG | CG | O3X | A | 261 | 3.69 | van der Waals | A | No SSE | 41 | ARG | CD | C6A | A | 261 | 3.74 | van der Waals | A | No SSE | 41 | ARG | CD | N6A | A | 261 | 3.76 | H.Bond | A | No SSE | 41 | ARG | CD | N1A | A | 261 | 3.9 | H.Bond | A | No SSE | 41 | ARG | CD | O3X | A | 261 | 3.78 | van der Waals | A | No SSE | 41 | ARG | NE | N7A | A | 261 | 3.93 | H.Bond | A | No SSE | 41 | ARG | NE | C5A | A | 261 | 3.62 | H.Bond | A | No SSE | 41 | ARG | NE | C6A | A | 261 | 3.53 | H.Bond | A | No SSE | 41 | ARG | NE | N6A | A | 261 | 3.73 | H.Bond | A | No SSE | 41 | ARG | NE | P2B | A | 261 | 3.95 | | A | No SSE | 41 | ARG | NE | O3X | A | 261 | 2.74 | H.Bond | A | No SSE | 41 | ARG | CZ | N7A | A | 261 | 3.56 | H.Bond | A | No SSE | 41 | ARG | CZ | C5A | A | 261 | 3.71 | van der Waals | A | No SSE | 41 | ARG | CZ | C6A | A | 261 | 3.81 | van der Waals | A | No SSE | 41 | ARG | CZ | N6A | A | 261 | 3.74 | H.Bond | A | No SSE | 41 | ARG | CZ | O3X | A | 261 | 3.42 | van der Waals | A | No SSE | 41 | ARG | NH1 | N6A | A | 261 | 3.72 | H.Bond | A | No SSE | 41 | ARG | NH2 | C8A | A | 261 | 3.59 | H.Bond | A | No SSE | 41 | ARG | NH2 | N7A | A | 261 | 3.26 | H.Bond | A | No SSE | 41 | ARG | NH2 | C5A | A | 261 | 3.75 | H.Bond | A | No SSE | 41 | ARG | NH2 | P2B | A | 261 | 3.68 | | A | No SSE | 41 | ARG | NH2 | O2X | A | 261 | 3.15 | H.Bond | A | No SSE | 41 | ARG | NH2 | O3X | A | 261 | 3.25 | H.Bond | A | 43-55 H: 1 | 45 | GLU | OE2 | O1X | A | 261 | 3.33 | H.Bond | A | No SSE | 65 | CYS | O | N1A | A | 261 | 3.3 | H.Bond | A | No SSE | 65 | CYS | O | C2A | A | 261 | 3 | van der Waals | A | No SSE | 66 | ASP | CA | N1A | A | 261 | 3.64 | H.Bond | A | No SSE | 66 | ASP | C | N1A | A | 261 | 3.73 | H.Bond | A | No SSE | 66 | ASP | OD1 | C6A | A | 261 | 3.81 | van der Waals | A | No SSE | 66 | ASP | OD1 | N6A | A | 261 | 3.11 | H.Bond | A | No SSE | 66 | ASP | OD1 | N1A | A | 261 | 3.86 | H.Bond | A | No SSE | 67 | LEU | N | C6A | A | 261 | 3.74 | H.Bond | A | No SSE | 67 | LEU | N | N6A | A | 261 | 3.77 | H.Bond | A | No SSE | 67 | LEU | N | N1A | A | 261 | 2.91 | H.Bond | A | No SSE | 67 | LEU | N | C2A | A | 261 | 3.73 | H.Bond | A | No SSE | 67 | LEU | CA | N1A | A | 261 | 3.81 | H.Bond | A | No SSE | 67 | LEU | CB | N1A | A | 261 | 3.54 | H.Bond | A | No SSE | 67 | LEU | CG | N1A | A | 261 | 3.6 | H.Bond | A | No SSE | 67 | LEU | CG | C2A | A | 261 | 3.63 | van der Waals | A | No SSE | 67 | LEU | CD1 | C2A | A | 261 | 3.98 | van der Waals | A | No SSE | 94 | ASN | C | O3D | A | 261 | 3.61 | van der Waals | A | No SSE | 94 | ASN | O | C5D | A | 261 | 3.44 | van der Waals | A | No SSE | 94 | ASN | O | C4D | A | 261 | 2.96 | van der Waals | A | No SSE | 94 | ASN | O | C3D | A | 261 | 2.96 | van der Waals | A | No SSE | 94 | ASN | O | O3D | A | 261 | 2.63 | H.Bond | A | No SSE | 94 | ASN | CG | C5D | A | 261 | 3.93 | van der Waals | A | No SSE | 94 | ASN | CG | C4D | A | 261 | 3.98 | van der Waals | A | No SSE | 94 | ASN | OD1 | C5D | A | 261 | 3.83 | van der Waals | A | No SSE | 94 | ASN | OD1 | C4D | A | 261 | 3.7 | van der Waals | A | No SSE | 94 | ASN | ND2 | C5D | A | 261 | 3.47 | H.Bond | A | No SSE | 94 | ASN | ND2 | C4D | A | 261 | 3.99 | H.Bond | A | No SSE | 95 | ALA | CA | O4B | A | 261 | 3.81 | van der Waals | A | No SSE | 95 | ALA | C | O3D | A | 261 | 3.72 | van der Waals | A | No SSE | 95 | ALA | O | O3D | A | 261 | 3.63 | H.Bond | A | No SSE | 95 | ALA | CB | O4B | A | 261 | 3.94 | van der Waals | A | No SSE | 95 | ALA | CB | C4A | A | 261 | 3.99 | van der Waals | A | No SSE | 96 | GLY | N | C3D | A | 261 | 3.93 | H.Bond | A | No SSE | 96 | GLY | N | O3D | A | 261 | 3.86 | H.Bond | A | No SSE | 96 | GLY | CA | O3D | A | 261 | 3.95 | van der Waals | A | No SSE | 96 | GLY | O | C8A | A | 261 | 3.89 | van der Waals | A | No SSE | 97 | ILE | CG2 | N7A | A | 261 | 3.78 | H.Bond | A | 108-118 H: 1 | 117 | ILE | CG1 | N6A | A | 261 | 3.39 | H.Bond | A | 108-118 H: 1 | 117 | ILE | CD1 | N6A | A | 261 | 3.22 | H.Bond | A | 139-144 S: 1 | 144 | ILE | O | O3D | A | 261 | 3.87 | H.Bond | A | 139-144 S: 1 | 144 | ILE | CG2 | O4D | A | 261 | 3.73 | van der Waals | A | No SSE | 145 | SER | O | C6N | A | 261 | 3.37 | van der Waals | A | No SSE | 146 | SER | CB | C5N | A | 261 | 3.68 | van der Waals | A | No SSE | 146 | SER | CB | C6N | A | 261 | 3.6 | van der Waals | A | No SSE | 146 | SER | OG | C5N | A | 261 | 3.33 | van der Waals | A | No SSE | 146 | SER | OG | C6N | A | 261 | 3.74 | van der Waals | A | 157-176 H: 1 | 159 | TYR | CE2 | O2D | A | 261 | 3.75 | van der Waals | A | 157-176 H: 1 | 159 | TYR | CZ | O2D | A | 261 | 3.58 | van der Waals | A | 157-176 H: 1 | 159 | TYR | OH | C2D | A | 261 | 3.44 | van der Waals | A | 157-176 H: 1 | 159 | TYR | OH | O2D | A | 261 | 2.55 | H.Bond | A | 157-176 H: 1 | 159 | TYR | OH | C1D | A | 261 | 3.89 | van der Waals | A | 157-176 H: 1 | 159 | TYR | OH | N1N | A | 261 | 3.65 | H.Bond | A | 157-176 H: 1 | 159 | TYR | OH | C5N | A | 261 | 3.97 | van der Waals | A | 157-176 H: 1 | 159 | TYR | OH | C6N | A | 261 | 3.28 | van der Waals | A | 157-176 H: 1 | 163 | LYS | CE | O2D | A | 261 | 3.26 | van der Waals | A | 157-176 H: 1 | 163 | LYS | NZ | O3D | A | 261 | 3.15 | H.Bond | A | 157-176 H: 1 | 163 | LYS | NZ | C2D | A | 261 | 3.84 | H.Bond | A | 157-176 H: 1 | 163 | LYS | NZ | O2D | A | 261 | 2.78 | H.Bond | A | 182-189 S: 1 | 189 | PRO | O | C5N | A | 261 | 3.94 | van der Waals | A | 182-189 S: 1 | 189 | PRO | CB | C4N | A | 261 | 3.89 | van der Waals | A | 182-189 S: 1 | 189 | PRO | CB | C5N | A | 261 | 3.81 | van der Waals | A | 182-189 S: 1 | 189 | PRO | CG | C6N | A | 261 | 3.89 | van der Waals | A | 182-189 S: 1 | 189 | PRO | CD | C6N | A | 261 | 3.99 | van der Waals | A | No SSE | 190 | GLY | O | O7N | A | 261 | 3.94 | H.Bond | A | No SSE | 190 | GLY | O | C4N | A | 261 | 3.29 | van der Waals | A | No SSE | 190 | GLY | O | C5N | A | 261 | 3.86 | van der Waals | A | No SSE | 191 | VAL | CA | O7N | A | 261 | 3.77 | van der Waals | A | No SSE | 191 | VAL | C | O7N | A | 261 | 3.79 | van der Waals | A | No SSE | 192 | ILE | N | C7N | A | 261 | 3.73 | H.Bond | A | No SSE | 192 | ILE | N | O7N | A | 261 | 2.9 | H.Bond | A | No SSE | 192 | ILE | CA | O7N | A | 261 | 3.74 | van der Waals | A | No SSE | 192 | ILE | C | O7N | A | 261 | 3.93 | van der Waals | A | No SSE | 192 | ILE | O | C7N | A | 261 | 3.68 | van der Waals | A | No SSE | 192 | ILE | O | O7N | A | 261 | 3.28 | H.Bond | A | No SSE | 192 | ILE | O | N7N | A | 261 | 3.28 | H.Bond | A | No SSE | 192 | ILE | CB | O7N | A | 261 | 3.94 | van der Waals | A | No SSE | 194 | THR | CB | O2A | A | 261 | 3.92 | van der Waals | A | No SSE | 194 | THR | CB | O1N | A | 261 | 3.26 | van der Waals | A | No SSE | 194 | THR | CB | O2N | A | 261 | 3.95 | van der Waals | A | No SSE | 194 | THR | CB | N7N | A | 261 | 3.84 | H.Bond | A | No SSE | 194 | THR | OG1 | O2A | A | 261 | 3.56 | H.Bond | A | No SSE | 194 | THR | OG1 | O3 | A | 261 | 3.91 | H.Bond | A | No SSE | 194 | THR | OG1 | PN | A | 261 | 3.53 | | A | No SSE | 194 | THR | OG1 | O1N | A | 261 | 2.5 | H.Bond | A | No SSE | 194 | THR | OG1 | O2N | A | 261 | 3.93 | H.Bond | A | No SSE | 194 | THR | OG1 | N7N | A | 261 | 3.18 | H.Bond | A | No SSE | 194 | THR | CG2 | O1N | A | 261 | 3.32 | van der Waals | A | No SSE | 194 | THR | CG2 | N7N | A | 261 | 3.25 | H.Bond | A | 195-200 H: 1 | 195 | SER | N | O2A | A | 261 | 3.72 | H.Bond | A | 195-200 H: 1 | 195 | SER | CB | O2A | A | 261 | 3.76 | van der Waals | A | 195-200 H: 1 | 195 | SER | OG | PA | A | 261 | 3.77 | | A | 195-200 H: 1 | 195 | SER | OG | O1A | A | 261 | 3.63 | H.Bond | A | 195-200 H: 1 | 195 | SER | OG | O2A | A | 261 | 2.97 | H.Bond | A | 195-200 H: 1 | 196 | LEU | N | O2A | A | 261 | 3.6 | H.Bond | A | 195-200 H: 1 | 196 | LEU | CB | PA | A | 261 | 3.95 | | A | 195-200 H: 1 | 196 | LEU | CB | O1A | A | 261 | 3.73 | van der Waals | A | 195-200 H: 1 | 196 | LEU | CB | O3 | A | 261 | 3.51 | van der Waals | A | 195-200 H: 1 | 196 | LEU | CB | O1N | A | 261 | 3.41 | van der Waals | A | 195-200 H: 1 | 196 | LEU | CD1 | O3 | A | 261 | 3.59 | van der Waals | A | 195-200 H: 1 | 196 | LEU | CD1 | O1N | A | 261 | 3.99 | van der Waals | A | 195-200 H: 1 | 197 | VAL | CG2 | C7N | A | 261 | 3.95 | van der Waals | A | 195-200 H: 1 | 197 | VAL | CG2 | O7N | A | 261 | 3.52 | van der Waals | A | 195-200 H: 1 | 197 | VAL | CG2 | N7N | A | 261 | 3.51 | H.Bond | A | Water | 276 | HOH | O | O5B | A | 261 | 3.52 | H.Bond | A | Water | 276 | HOH | O | C5B | A | 261 | 3.72 | van der Waals | A | Water | 276 | HOH | O | C4B | A | 261 | 3.58 | van der Waals | A | Water | 276 | HOH | O | O2N | A | 261 | 2.96 | H.Bond | A | Water | 276 | HOH | O | C5D | A | 261 | 3.28 | van der Waals | |
| 2 / B |
> Structure: LLLLHSLLLLLLLLHSLLHSLLLH
+5w
> Sequence: GGSRGISRCDLNAGIIISSYKPGITSLV
|
NDP /(262) |
[+] |
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> Graphics rep1:
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[+] |
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> Graphics rep2:
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[+] |
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Protein Chain | Prot SSE | Res Nbr | Res Name | RsAt.Name | LgAt.Name |
Lg Chain | Lg Nbr | Bnd Len | Bnd Type |
---|
B | No SSE | 16 | GLY | CA | C4B | B | 262 | 3.76 | van der Waals | B | No SSE | 16 | GLY | CA | O4B | B | 262 | 3.16 | van der Waals | B | No SSE | 16 | GLY | CA | O3B | B | 262 | 3.75 | van der Waals | B | No SSE | 16 | GLY | CA | C1B | B | 262 | 3.3 | van der Waals | B | No SSE | 16 | GLY | C | C4B | B | 262 | 3.83 | van der Waals | B | No SSE | 16 | GLY | C | O4B | B | 262 | 3.79 | van der Waals | B | No SSE | 16 | GLY | C | O3B | B | 262 | 3.43 | van der Waals | B | No SSE | 16 | GLY | O | C4B | B | 262 | 3.37 | van der Waals | B | No SSE | 16 | GLY | O | O4B | B | 262 | 3.66 | H.Bond | B | No SSE | 16 | GLY | O | C3B | B | 262 | 3.97 | van der Waals | B | No SSE | 16 | GLY | O | O3B | B | 262 | 3.42 | H.Bond | B | No SSE | 17 | GLY | N | O3B | B | 262 | 3.88 | H.Bond | B | No SSE | 18 | SER | N | O3B | B | 262 | 3.12 | H.Bond | B | No SSE | 18 | SER | CA | O3B | B | 262 | 3.63 | van der Waals | B | No SSE | 18 | SER | C | O3B | B | 262 | 3.89 | van der Waals | B | No SSE | 18 | SER | CB | O3B | B | 262 | 3.5 | van der Waals | B | No SSE | 18 | SER | OG | C3B | B | 262 | 3.5 | van der Waals | B | No SSE | 18 | SER | OG | O3B | B | 262 | 2.41 | H.Bond | B | No SSE | 18 | SER | OG | C2B | B | 262 | 3.97 | van der Waals | B | No SSE | 18 | SER | OG | O2B | B | 262 | 3.27 | H.Bond | B | No SSE | 18 | SER | OG | O1X | B | 262 | 3.81 | H.Bond | B | No SSE | 19 | ARG | N | O3B | B | 262 | 3.39 | H.Bond | B | No SSE | 19 | ARG | C | O2A | B | 262 | 3.99 | van der Waals | B | No SSE | 19 | ARG | O | O2A | B | 262 | 3.91 | H.Bond | B | No SSE | 19 | ARG | O | O5B | B | 262 | 3.58 | H.Bond | B | No SSE | 19 | ARG | O | O2N | B | 262 | 3.81 | H.Bond | B | No SSE | 19 | ARG | CG | O2A | B | 262 | 3.59 | van der Waals | B | No SSE | 19 | ARG | CG | O5B | B | 262 | 3.62 | van der Waals | B | No SSE | 19 | ARG | CG | C3B | B | 262 | 3.93 | van der Waals | B | No SSE | 19 | ARG | CG | O3B | B | 262 | 3.93 | van der Waals | B | No SSE | 19 | ARG | NE | O1A | B | 262 | 3.9 | H.Bond | B | No SSE | 19 | ARG | CZ | C3B | B | 262 | 3.75 | van der Waals | B | No SSE | 19 | ARG | CZ | C2B | B | 262 | 3.96 | van der Waals | B | No SSE | 19 | ARG | CZ | O2X | B | 262 | 3.01 | van der Waals | B | No SSE | 19 | ARG | NH1 | C3B | B | 262 | 3.32 | H.Bond | B | No SSE | 19 | ARG | NH1 | O3B | B | 262 | 3.74 | H.Bond | B | No SSE | 19 | ARG | NH1 | C2B | B | 262 | 3.4 | H.Bond | B | No SSE | 19 | ARG | NH1 | O2B | B | 262 | 3.09 | H.Bond | B | No SSE | 19 | ARG | NH1 | P2B | B | 262 | 3.12 | | B | No SSE | 19 | ARG | NH1 | O1X | B | 262 | 3.3 | H.Bond | B | No SSE | 19 | ARG | NH1 | O2X | B | 262 | 2.46 | H.Bond | B | No SSE | 19 | ARG | NH2 | O1A | B | 262 | 3.68 | H.Bond | B | No SSE | 19 | ARG | NH2 | O2X | B | 262 | 2.76 | H.Bond | B | 20-31 H: 1 | 20 | GLY | N | O2A | B | 262 | 3.98 | H.Bond | B | 20-31 H: 1 | 20 | GLY | CA | O2A | B | 262 | 3.84 | van der Waals | B | 20-31 H: 1 | 20 | GLY | CA | O2N | B | 262 | 3.54 | van der Waals | B | 20-31 H: 1 | 20 | GLY | C | O2N | B | 262 | 3.69 | van der Waals | B | 20-31 H: 1 | 21 | ILE | N | O2N | B | 262 | 2.93 | H.Bond | B | 20-31 H: 1 | 21 | ILE | CA | O2N | B | 262 | 3.86 | van der Waals | B | 20-31 H: 1 | 21 | ILE | CB | O2N | B | 262 | 3.74 | van der Waals | B | 20-31 H: 1 | 21 | ILE | CG1 | O2N | B | 262 | 3.79 | van der Waals | B | 20-31 H: 1 | 21 | ILE | CD1 | O4D | B | 262 | 3.53 | van der Waals | B | 20-31 H: 1 | 21 | ILE | CD1 | C2N | B | 262 | 3.87 | van der Waals | B | 35-40 S: 1 | 40 | SER | CA | N3A | B | 262 | 3.64 | H.Bond | B | 35-40 S: 1 | 40 | SER | C | C2A | B | 262 | 3.98 | van der Waals | B | 35-40 S: 1 | 40 | SER | CB | O2B | B | 262 | 3.78 | van der Waals | B | 35-40 S: 1 | 40 | SER | CB | O1X | B | 262 | 3.89 | van der Waals | B | 35-40 S: 1 | 40 | SER | OG | O1X | B | 262 | 3.2 | H.Bond | B | No SSE | 41 | ARG | N | C2A | B | 262 | 3.98 | H.Bond | B | No SSE | 41 | ARG | N | N3A | B | 262 | 3.95 | H.Bond | B | No SSE | 41 | ARG | N | P2B | B | 262 | 3.91 | | B | No SSE | 41 | ARG | N | O1X | B | 262 | 3.52 | H.Bond | B | No SSE | 41 | ARG | N | O3X | B | 262 | 3.26 | H.Bond | B | No SSE | 41 | ARG | CA | O3X | B | 262 | 3.81 | van der Waals | B | No SSE | 41 | ARG | CB | O3X | B | 262 | 3.16 | van der Waals | B | No SSE | 41 | ARG | CG | N1A | B | 262 | 3.74 | H.Bond | B | No SSE | 41 | ARG | CG | O3X | B | 262 | 3.76 | van der Waals | B | No SSE | 41 | ARG | CD | C6A | B | 262 | 3.89 | van der Waals | B | No SSE | 41 | ARG | CD | N6A | B | 262 | 3.86 | H.Bond | B | No SSE | 41 | ARG | CD | O3X | B | 262 | 3.89 | van der Waals | B | No SSE | 41 | ARG | NE | C5A | B | 262 | 3.93 | H.Bond | B | No SSE | 41 | ARG | NE | C6A | B | 262 | 3.85 | H.Bond | B | No SSE | 41 | ARG | NE | N6A | B | 262 | 3.96 | H.Bond | B | No SSE | 41 | ARG | NE | O3X | B | 262 | 2.89 | H.Bond | B | No SSE | 41 | ARG | CZ | N7A | B | 262 | 3.79 | H.Bond | B | No SSE | 41 | ARG | CZ | N6A | B | 262 | 3.9 | H.Bond | B | No SSE | 41 | ARG | CZ | O3X | B | 262 | 3.55 | van der Waals | B | No SSE | 41 | ARG | NH1 | N6A | B | 262 | 3.69 | H.Bond | B | No SSE | 41 | ARG | NH2 | N7A | B | 262 | 3.64 | H.Bond | B | No SSE | 41 | ARG | NH2 | O2X | B | 262 | 3.84 | H.Bond | B | No SSE | 41 | ARG | NH2 | O3X | B | 262 | 3.4 | H.Bond | B | No SSE | 65 | CYS | C | C2A | B | 262 | 3.98 | van der Waals | B | No SSE | 65 | CYS | O | N1A | B | 262 | 3.17 | H.Bond | B | No SSE | 65 | CYS | O | C2A | B | 262 | 2.93 | van der Waals | B | No SSE | 66 | ASP | CA | N1A | B | 262 | 3.65 | H.Bond | B | No SSE | 66 | ASP | C | N1A | B | 262 | 3.79 | H.Bond | B | No SSE | 66 | ASP | OD1 | N6A | B | 262 | 3.43 | H.Bond | B | No SSE | 67 | LEU | N | C6A | B | 262 | 3.67 | H.Bond | B | No SSE | 67 | LEU | N | N6A | B | 262 | 3.55 | H.Bond | B | No SSE | 67 | LEU | N | N1A | B | 262 | 2.98 | H.Bond | B | No SSE | 67 | LEU | N | C2A | B | 262 | 3.93 | H.Bond | B | No SSE | 67 | LEU | CA | N1A | B | 262 | 3.91 | H.Bond | B | No SSE | 67 | LEU | CB | N1A | B | 262 | 3.67 | H.Bond | B | No SSE | 67 | LEU | CG | N1A | B | 262 | 3.35 | H.Bond | B | No SSE | 67 | LEU | CG | C2A | B | 262 | 3.56 | van der Waals | B | No SSE | 67 | LEU | CD1 | N1A | B | 262 | 3.57 | H.Bond | B | No SSE | 67 | LEU | CD1 | C2A | B | 262 | 3.48 | van der Waals | B | No SSE | 67 | LEU | CD1 | N3A | B | 262 | 3.9 | H.Bond | B | No SSE | 94 | ASN | C | O3D | B | 262 | 3.91 | van der Waals | B | No SSE | 94 | ASN | O | C5D | B | 262 | 3.68 | van der Waals | B | No SSE | 94 | ASN | O | C4D | B | 262 | 3.18 | van der Waals | B | No SSE | 94 | ASN | O | C3D | B | 262 | 3.2 | van der Waals | B | No SSE | 94 | ASN | O | O3D | B | 262 | 2.78 | H.Bond | B | No SSE | 94 | ASN | CG | C5D | B | 262 | 3.91 | van der Waals | B | No SSE | 94 | ASN | OD1 | C5D | B | 262 | 3.63 | van der Waals | B | No SSE | 94 | ASN | OD1 | C4D | B | 262 | 3.82 | van der Waals | B | No SSE | 94 | ASN | ND2 | C5D | B | 262 | 3.62 | H.Bond | B | No SSE | 95 | ALA | CA | O4B | B | 262 | 3.94 | van der Waals | B | No SSE | 95 | ALA | C | O3D | B | 262 | 3.87 | van der Waals | B | No SSE | 95 | ALA | O | O3D | B | 262 | 3.74 | H.Bond | B | No SSE | 96 | GLY | N | O3D | B | 262 | 3.79 | H.Bond | B | No SSE | 96 | GLY | CA | C3D | B | 262 | 3.88 | van der Waals | B | No SSE | 96 | GLY | CA | O3D | B | 262 | 3.59 | van der Waals | B | No SSE | 97 | ILE | CG2 | N7A | B | 262 | 3.74 | H.Bond | B | 108-118 H: 1 | 117 | ILE | CG1 | N6A | B | 262 | 3.79 | H.Bond | B | 108-118 H: 1 | 117 | ILE | CD1 | N6A | B | 262 | 3.7 | H.Bond | B | 139-144 S: 1 | 144 | ILE | O | O3D | B | 262 | 3.88 | H.Bond | B | 139-144 S: 1 | 144 | ILE | CG2 | O4D | B | 262 | 3.68 | van der Waals | B | No SSE | 145 | SER | O | C6N | B | 262 | 3.57 | van der Waals | B | No SSE | 146 | SER | CB | C5N | B | 262 | 3.84 | van der Waals | B | No SSE | 146 | SER | CB | C6N | B | 262 | 3.61 | van der Waals | B | No SSE | 146 | SER | OG | C5N | B | 262 | 3.32 | van der Waals | B | No SSE | 146 | SER | OG | C6N | B | 262 | 3.58 | van der Waals | B | 157-176 H: 1 | 159 | TYR | CE2 | O2D | B | 262 | 3.43 | van der Waals | B | 157-176 H: 1 | 159 | TYR | CZ | O2D | B | 262 | 3.35 | van der Waals | B | 157-176 H: 1 | 159 | TYR | OH | C2D | B | 262 | 3.4 | van der Waals | B | 157-176 H: 1 | 159 | TYR | OH | O2D | B | 262 | 2.44 | H.Bond | B | 157-176 H: 1 | 159 | TYR | OH | C1D | B | 262 | 3.77 | van der Waals | B | 157-176 H: 1 | 159 | TYR | OH | N1N | B | 262 | 3.68 | H.Bond | B | 157-176 H: 1 | 159 | TYR | OH | C6N | B | 262 | 3.39 | van der Waals | B | 157-176 H: 1 | 163 | LYS | CE | O3D | B | 262 | 3.94 | van der Waals | B | 157-176 H: 1 | 163 | LYS | CE | O2D | B | 262 | 3.7 | van der Waals | B | 157-176 H: 1 | 163 | LYS | NZ | C3D | B | 262 | 3.97 | H.Bond | B | 157-176 H: 1 | 163 | LYS | NZ | O3D | B | 262 | 2.8 | H.Bond | B | 157-176 H: 1 | 163 | LYS | NZ | O2D | B | 262 | 3.22 | H.Bond | B | 182-189 S: 1 | 189 | PRO | O | C5N | B | 262 | 3.46 | van der Waals | B | 182-189 S: 1 | 189 | PRO | CB | C4N | B | 262 | 3.89 | van der Waals | B | 182-189 S: 1 | 189 | PRO | CB | C5N | B | 262 | 3.79 | van der Waals | B | 182-189 S: 1 | 189 | PRO | CG | C6N | B | 262 | 3.85 | van der Waals | B | 182-189 S: 1 | 189 | PRO | CD | C6N | B | 262 | 3.96 | van der Waals | B | No SSE | 190 | GLY | O | C4N | B | 262 | 3.45 | van der Waals | B | No SSE | 190 | GLY | O | C5N | B | 262 | 3.87 | van der Waals | B | No SSE | 192 | ILE | N | C7N | B | 262 | 3.64 | H.Bond | B | No SSE | 192 | ILE | N | O7N | B | 262 | 3.6 | H.Bond | B | No SSE | 192 | ILE | N | N7N | B | 262 | 3.46 | H.Bond | B | No SSE | 192 | ILE | CA | N7N | B | 262 | 3.65 | H.Bond | B | No SSE | 192 | ILE | C | N7N | B | 262 | 3.57 | H.Bond | B | No SSE | 192 | ILE | O | C7N | B | 262 | 3.63 | van der Waals | B | No SSE | 192 | ILE | O | O7N | B | 262 | 3.6 | H.Bond | B | No SSE | 192 | ILE | O | N7N | B | 262 | 2.78 | H.Bond | B | No SSE | 192 | ILE | CB | N7N | B | 262 | 3.39 | H.Bond | B | No SSE | 194 | THR | CB | O1N | B | 262 | 3.26 | van der Waals | B | No SSE | 194 | THR | OG1 | PN | B | 262 | 3.94 | | B | No SSE | 194 | THR | OG1 | O1N | B | 262 | 2.67 | H.Bond | B | No SSE | 194 | THR | OG1 | N7N | B | 262 | 3.58 | H.Bond | B | No SSE | 194 | THR | CG2 | O1N | B | 262 | 3.32 | van der Waals | B | No SSE | 194 | THR | CG2 | O2N | B | 262 | 3.97 | van der Waals | B | No SSE | 194 | THR | CG2 | N7N | B | 262 | 3.33 | H.Bond | B | 195-200 H: 1 | 195 | SER | N | O2A | B | 262 | 3.95 | H.Bond | B | 195-200 H: 1 | 195 | SER | CB | O2A | B | 262 | 3.96 | van der Waals | B | 195-200 H: 1 | 195 | SER | OG | PA | B | 262 | 3.69 | | B | 195-200 H: 1 | 195 | SER | OG | O1A | B | 262 | 3.83 | H.Bond | B | 195-200 H: 1 | 195 | SER | OG | O2A | B | 262 | 2.65 | H.Bond | B | 195-200 H: 1 | 196 | LEU | N | O2A | B | 262 | 3.82 | H.Bond | B | 195-200 H: 1 | 196 | LEU | CB | O1A | B | 262 | 3.69 | van der Waals | B | 195-200 H: 1 | 196 | LEU | CB | O3 | B | 262 | 3.95 | van der Waals | B | 195-200 H: 1 | 196 | LEU | CB | O1N | B | 262 | 3.51 | van der Waals | B | 195-200 H: 1 | 197 | VAL | CG2 | C7N | B | 262 | 3.98 | van der Waals | B | 195-200 H: 1 | 197 | VAL | CG2 | O7N | B | 262 | 3.13 | van der Waals | B | 195-200 H: 1 | 197 | VAL | CG2 | N7N | B | 262 | 3.99 | H.Bond | B | Water | 275 | HOH | O | O3D | B | 262 | 3.59 | H.Bond | B | Water | 280 | HOH | O | O5B | B | 262 | 3.21 | H.Bond | B | Water | 280 | HOH | O | C5B | B | 262 | 3.24 | van der Waals | B | Water | 280 | HOH | O | C4B | B | 262 | 3.19 | van der Waals | B | Water | 280 | HOH | O | O3 | B | 262 | 3.88 | H.Bond | B | Water | 280 | HOH | O | PN | B | 262 | 3.86 | | B | Water | 280 | HOH | O | O2N | B | 262 | 2.87 | H.Bond | B | Water | 280 | HOH | O | C5D | B | 262 | 3.61 | van der Waals | B | Water | 281 | HOH | O | O1A | B | 262 | 2.96 | H.Bond | B | Water | 288 | HOH | O | O7N | B | 262 | 3.56 | H.Bond | B | Water | 288 | HOH | O | C4N | B | 262 | 3.64 | van der Waals | B | Water | 291 | HOH | O | O2B | B | 262 | 3.8 | H.Bond | B | Water | 291 | HOH | O | P2B | B | 262 | 3.72 | | B | Water | 291 | HOH | O | O1X | B | 262 | 2.4 | H.Bond | |
Nbr of Motifs per PDB entry | PDB Entry | Title | Determination Method | Resolution | R-Factor |
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1 | 1PGO | CRYSTALLOGRAPHIC STUDY OF COENZYME, COENZYME ANALOGUE AND SUBSTRATE BINDING IN 6-PHOSPHOGLUCONATE DEHYDROGENASE: IMPLICATIONS FOR NADP SPECIFICITY AND THE ENZYME MECHANISM | X-RAY | 2.50 | 0.170
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| Motif No./Chain | Motif | Bound Ligand /(Nbr. in PDB) | Show Details |
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| 1 / A |
> Structure: LLLHLLLLLHLSLHHL
+3w
> Sequence: GLAMNRTVKAFNVSGGKHNEI
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NDP /(501) |
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Protein Chain | Prot SSE | Res Nbr | Res Name | RsAt.Name | LgAt.Name |
Lg Chain | Lg Nbr | Bnd Len | Bnd Type |
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A | No SSE | 9 | GLY | CA | O3B | A | 501 | 3.23 | van der Waals | A | No SSE | 9 | GLY | C | O3B | A | 501 | 3.38 | van der Waals | A | No SSE | 10 | LEU | N | O3B | A | 501 | 3.1 | H.Bond | A | No SSE | 11 | ALA | N | O3B | A | 501 | 3.81 | H.Bond | A | No SSE | 11 | ALA | CB | O2N | A | 501 | 3.64 | van der Waals | A | 12-23 H: 1 | 13 | MET | CB | O2N | A | 501 | 3.47 | van der Waals | A | 12-23 H: 1 | 13 | MET | CE | C5N | A | 501 | 3.88 | van der Waals | A | 12-23 H: 1 | 13 | MET | CE | C6N | A | 501 | 3.67 | van der Waals | A | No SSE | 32 | ASN | CG | O2B | A | 501 | 3.86 | van der Waals | A | No SSE | 32 | ASN | CG | O2X | A | 501 | 3.51 | van der Waals | A | No SSE | 32 | ASN | OD1 | O2B | A | 501 | 3.86 | H.Bond | A | No SSE | 32 | ASN | OD1 | P2B | A | 501 | 3.64 | | A | No SSE | 32 | ASN | OD1 | O2X | A | 501 | 2.94 | H.Bond | A | No SSE | 32 | ASN | OD1 | O3X | A | 501 | 3.51 | H.Bond | A | No SSE | 32 | ASN | ND2 | C3B | A | 501 | 3.92 | H.Bond | A | No SSE | 32 | ASN | ND2 | O3B | A | 501 | 2.9 | H.Bond | A | No SSE | 32 | ASN | ND2 | O2B | A | 501 | 3.07 | H.Bond | A | No SSE | 32 | ASN | ND2 | P2B | A | 501 | 3.82 | | A | No SSE | 32 | ASN | ND2 | O2X | A | 501 | 3.57 | H.Bond | A | No SSE | 32 | ASN | ND2 | O3X | A | 501 | 3.9 | H.Bond | A | No SSE | 33 | ARG | N | O2X | A | 501 | 3.61 | H.Bond | A | No SSE | 33 | ARG | CA | O2X | A | 501 | 3.94 | van der Waals | A | No SSE | 33 | ARG | C | O2X | A | 501 | 3.79 | van der Waals | A | No SSE | 33 | ARG | CB | O2X | A | 501 | 3.89 | van der Waals | A | No SSE | 33 | ARG | CG | O2B | A | 501 | 3.86 | van der Waals | A | No SSE | 33 | ARG | CG | C2A | A | 501 | 3.96 | van der Waals | A | No SSE | 33 | ARG | CG | N3A | A | 501 | 3.81 | H.Bond | A | No SSE | 33 | ARG | CG | P2B | A | 501 | 3.81 | | A | No SSE | 33 | ARG | CG | O1X | A | 501 | 3.96 | van der Waals | A | No SSE | 33 | ARG | CG | O2X | A | 501 | 2.9 | van der Waals | A | No SSE | 33 | ARG | CD | C2A | A | 501 | 3.92 | van der Waals | A | No SSE | 33 | ARG | CD | O2X | A | 501 | 3.75 | van der Waals | A | No SSE | 33 | ARG | NE | P2B | A | 501 | 3.66 | | A | No SSE | 33 | ARG | NE | O1X | A | 501 | 2.92 | H.Bond | A | No SSE | 33 | ARG | NE | O2X | A | 501 | 3.42 | H.Bond | A | No SSE | 33 | ARG | CZ | N7A | A | 501 | 3.9 | H.Bond | A | No SSE | 33 | ARG | CZ | C5A | A | 501 | 3.78 | van der Waals | A | No SSE | 33 | ARG | CZ | C6A | A | 501 | 3.79 | van der Waals | A | No SSE | 33 | ARG | CZ | O1X | A | 501 | 3.32 | van der Waals | A | No SSE | 33 | ARG | NH1 | C5A | A | 501 | 3.78 | H.Bond | A | No SSE | 33 | ARG | NH1 | C6A | A | 501 | 3.32 | H.Bond | A | No SSE | 33 | ARG | NH1 | N6A | A | 501 | 3.23 | H.Bond | A | No SSE | 33 | ARG | NH1 | N1A | A | 501 | 3.74 | H.Bond | A | No SSE | 33 | ARG | NH2 | N7A | A | 501 | 3.77 | H.Bond | A | No SSE | 33 | ARG | NH2 | O1X | A | 501 | 2.93 | H.Bond | A | No SSE | 34 | THR | N | O2X | A | 501 | 2.94 | H.Bond | A | No SSE | 34 | THR | CA | O2X | A | 501 | 3.76 | van der Waals | A | No SSE | 34 | THR | CB | O2X | A | 501 | 3.38 | van der Waals | A | No SSE | 34 | THR | OG1 | P2B | A | 501 | 3.84 | | A | No SSE | 34 | THR | OG1 | O2X | A | 501 | 2.99 | H.Bond | A | No SSE | 74 | VAL | CA | O4B | A | 501 | 3.5 | van der Waals | A | No SSE | 74 | VAL | C | O4B | A | 501 | 3.88 | van der Waals | A | No SSE | 74 | VAL | CG1 | N3A | A | 501 | 3.65 | H.Bond | A | No SSE | 74 | VAL | CG1 | C4A | A | 501 | 3.89 | van der Waals | A | No SSE | 74 | VAL | CG2 | C1B | A | 501 | 3.95 | van der Waals | A | No SSE | 74 | VAL | CG2 | N3A | A | 501 | 3.9 | H.Bond | A | No SSE | 75 | LYS | N | O5B | A | 501 | 3.85 | H.Bond | A | No SSE | 75 | LYS | N | O4B | A | 501 | 3.32 | H.Bond | A | No SSE | 75 | LYS | CA | O1A | A | 501 | 3.65 | van der Waals | A | No SSE | 75 | LYS | CB | O1A | A | 501 | 3.58 | van der Waals | A | No SSE | 75 | LYS | CB | O5B | A | 501 | 3.58 | van der Waals | A | No SSE | 75 | LYS | CB | C8A | A | 501 | 3.79 | van der Waals | A | No SSE | 75 | LYS | CE | O1A | A | 501 | 3.32 | van der Waals | A | 78-90 H: 1 | 79 | ALA | CB | C5A | A | 501 | 3.83 | van der Waals | A | 78-90 H: 1 | 79 | ALA | CB | C6A | A | 501 | 3.56 | van der Waals | A | 78-90 H: 1 | 79 | ALA | CB | N6A | A | 501 | 3.93 | H.Bond | A | 78-90 H: 1 | 79 | ALA | CB | N1A | A | 501 | 3.68 | H.Bond | A | 78-90 H: 1 | 83 | PHE | CE2 | C2A | A | 501 | 3.49 | van der Waals | A | 78-90 H: 1 | 83 | PHE | CE2 | N3A | A | 501 | 3.74 | H.Bond | A | No SSE | 102 | ASN | ND2 | O4D | A | 501 | 3.08 | H.Bond | A | No SSE | 102 | ASN | ND2 | C1D | A | 501 | 3.32 | H.Bond | A | No SSE | 102 | ASN | ND2 | N1N | A | 501 | 3.4 | H.Bond | A | No SSE | 102 | ASN | ND2 | C2N | A | 501 | 3.5 | H.Bond | A | 121-128 S: 1 | 127 | VAL | O | C4N | A | 501 | 3.87 | van der Waals | A | 121-128 S: 1 | 127 | VAL | O | C5N | A | 501 | 3.57 | van der Waals | A | 121-128 S: 1 | 127 | VAL | O | C6N | A | 501 | 3.74 | van der Waals | A | 121-128 S: 1 | 128 | SER | CA | C4N | A | 501 | 3.5 | van der Waals | A | 121-128 S: 1 | 128 | SER | CA | C5N | A | 501 | 3.53 | van der Waals | A | 121-128 S: 1 | 128 | SER | C | C5N | A | 501 | 3.82 | van der Waals | A | 121-128 S: 1 | 128 | SER | OG | C7N | A | 501 | 3.98 | van der Waals | A | 121-128 S: 1 | 128 | SER | OG | O7N | A | 501 | 3.01 | H.Bond | A | 121-128 S: 1 | 128 | SER | OG | C4N | A | 501 | 3.58 | van der Waals | A | No SSE | 129 | GLY | N | C4N | A | 501 | 3.52 | H.Bond | A | No SSE | 129 | GLY | N | C5N | A | 501 | 3.48 | H.Bond | A | 130-136 H: 1 | 130 | GLY | N | C5N | A | 501 | 3.35 | H.Bond | A | 130-136 H: 1 | 130 | GLY | CA | C5N | A | 501 | 3.94 | van der Waals | A | 178-206 H: 1 | 183 | LYS | CE | C7N | A | 501 | 3.87 | van der Waals | A | 178-206 H: 1 | 183 | LYS | CE | O7N | A | 501 | 3.68 | van der Waals | A | 178-206 H: 1 | 183 | LYS | NZ | C2N | A | 501 | 3.5 | H.Bond | A | 178-206 H: 1 | 183 | LYS | NZ | C3N | A | 501 | 3.51 | H.Bond | A | 178-206 H: 1 | 183 | LYS | NZ | C7N | A | 501 | 3.67 | H.Bond | A | 178-206 H: 1 | 183 | LYS | NZ | O7N | A | 501 | 3.94 | H.Bond | A | 178-206 H: 1 | 186 | HIS | CD2 | O7N | A | 501 | 3.49 | van der Waals | A | 178-206 H: 1 | 186 | HIS | NE2 | O7N | A | 501 | 3.15 | H.Bond | A | 178-206 H: 1 | 187 | ASN | CG | N7N | A | 501 | 3.33 | H.Bond | A | 178-206 H: 1 | 187 | ASN | OD1 | C7N | A | 501 | 3.39 | van der Waals | A | 178-206 H: 1 | 187 | ASN | OD1 | O7N | A | 501 | 3.17 | H.Bond | A | 178-206 H: 1 | 187 | ASN | OD1 | N7N | A | 501 | 3.12 | H.Bond | A | 178-206 H: 1 | 187 | ASN | ND2 | C7N | A | 501 | 3.88 | H.Bond | A | 178-206 H: 1 | 187 | ASN | ND2 | N7N | A | 501 | 3.03 | H.Bond | A | 178-206 H: 1 | 190 | GLU | OE1 | C7N | A | 501 | 3.92 | van der Waals | A | 178-206 H: 1 | 190 | GLU | OE1 | O7N | A | 501 | 3.35 | H.Bond | A | 178-206 H: 1 | 190 | GLU | OE1 | N7N | A | 501 | 3.87 | H.Bond | A | No SSE | 366 | ILE | CD1 | O7N | A | 501 | 3.41 | van der Waals | A | No SSE | 366 | ILE | CD1 | C4N | A | 501 | 3.7 | van der Waals | A | Water | 516 | HOH | O | O5D | A | 501 | 3.4 | H.Bond | A | Water | 516 | HOH | O | C5D | A | 501 | 3.36 | van der Waals | A | Water | 516 | HOH | O | C4D | A | 501 | 3.65 | van der Waals | A | Water | 589 | HOH | O | O2N | A | 501 | 3.26 | H.Bond | A | Water | 692 | HOH | O | O1N | A | 501 | 3.53 | H.Bond | A | Water | 692 | HOH | O | O2N | A | 501 | 3.89 | H.Bond | |
Nbr of Motifs per PDB entry | PDB Entry | Title | Determination Method | Resolution | R-Factor |
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1 | 1FRB | FR-1 PROTEIN/NADPH/ZOPOLRESTAT COMPLEX | X-RAY | 1.70 | 0.158
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| Motif No./Chain | Motif | Bound Ligand /(Nbr. in PDB) | Show Details |
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| 1 / A |
> Structure: LLLLSHSLLLLSSLLLLLLLLHLLLLLLH
+6w
> Sequence: GTWKDYKHWSNQYSPLGSPDLAIPKSVTREN
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NDP /(350) |
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Protein Chain | Prot SSE | Res Nbr | Res Name | RsAt.Name | LgAt.Name |
Lg Chain | Lg Nbr | Bnd Len | Bnd Type |
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A | No SSE | 18 | GLY | CA | C4D | A | 350 | 3.75 | van der Waals | A | No SSE | 18 | GLY | CA | O3D | A | 350 | 3.44 | van der Waals | A | No SSE | 18 | GLY | CA | O2D | A | 350 | 3.35 | van der Waals | A | No SSE | 18 | GLY | C | O3D | A | 350 | 3.36 | van der Waals | A | No SSE | 18 | GLY | C | O2D | A | 350 | 3.79 | van der Waals | A | No SSE | 19 | THR | N | O3D | A | 350 | 3.18 | H.Bond | A | No SSE | 19 | THR | N | O2D | A | 350 | 3.29 | H.Bond | A | No SSE | 19 | THR | CA | O3D | A | 350 | 3.98 | van der Waals | A | No SSE | 19 | THR | C | O3D | A | 350 | 3.81 | van der Waals | A | No SSE | 20 | TRP | N | C3D | A | 350 | 3.9 | H.Bond | A | No SSE | 20 | TRP | N | O3D | A | 350 | 2.94 | H.Bond | A | No SSE | 20 | TRP | N | C2D | A | 350 | 3.94 | H.Bond | A | No SSE | 20 | TRP | N | O2D | A | 350 | 3.86 | H.Bond | A | No SSE | 20 | TRP | CA | O3D | A | 350 | 3.7 | van der Waals | A | No SSE | 20 | TRP | O | O1N | A | 350 | 3.97 | H.Bond | A | No SSE | 20 | TRP | O | O3D | A | 350 | 3.73 | H.Bond | A | No SSE | 20 | TRP | CB | C3D | A | 350 | 3.77 | van der Waals | A | No SSE | 20 | TRP | CB | O3D | A | 350 | 3.51 | van der Waals | A | No SSE | 20 | TRP | CB | C2D | A | 350 | 3.74 | van der Waals | A | No SSE | 20 | TRP | CE3 | O2N | A | 350 | 3.44 | van der Waals | A | No SSE | 20 | TRP | CE3 | C5N | A | 350 | 3.6 | van der Waals | A | No SSE | 20 | TRP | CE3 | C6N | A | 350 | 3.68 | van der Waals | A | No SSE | 20 | TRP | CZ3 | O2N | A | 350 | 3.5 | van der Waals | A | No SSE | 20 | TRP | CZ3 | C5N | A | 350 | 3.76 | van der Waals | A | No SSE | 21 | LYS | CE | O1N | A | 350 | 3.78 | van der Waals | A | No SSE | 21 | LYS | NZ | PN | A | 350 | 3.88 | | A | No SSE | 21 | LYS | NZ | O1N | A | 350 | 2.89 | H.Bond | A | 41-43 S: 0 | 43 | ASP | O | O2D | A | 350 | 3.92 | H.Bond | A | 41-43 S: 0 | 43 | ASP | CB | O2D | A | 350 | 3.85 | van der Waals | A | 41-43 S: 0 | 43 | ASP | CG | O2D | A | 350 | 3.61 | van der Waals | A | 41-43 S: 0 | 43 | ASP | OD2 | C2D | A | 350 | 3.57 | van der Waals | A | 41-43 S: 0 | 43 | ASP | OD2 | O2D | A | 350 | 2.67 | H.Bond | A | 41-43 S: 0 | 43 | ASP | OD2 | C1D | A | 350 | 3.6 | van der Waals | A | 46-48 H: 5 | 48 | TYR | CE2 | C2D | A | 350 | 3.85 | van der Waals | A | 46-48 H: 5 | 48 | TYR | CE2 | O2D | A | 350 | 3.65 | van der Waals | A | 46-48 H: 5 | 48 | TYR | CZ | C2D | A | 350 | 3.93 | van der Waals | A | 46-48 H: 5 | 48 | TYR | OH | C2D | A | 350 | 3.55 | van der Waals | A | 46-48 H: 5 | 48 | TYR | OH | C1D | A | 350 | 3.86 | van der Waals | A | 46-48 H: 5 | 48 | TYR | OH | N1N | A | 350 | 3.58 | H.Bond | A | 46-48 H: 5 | 48 | TYR | OH | C2N | A | 350 | 3.22 | van der Waals | A | 46-48 H: 5 | 48 | TYR | OH | C3N | A | 350 | 3.71 | van der Waals | A | 73-78 S: 1 | 77 | LYS | CE | N7N | A | 350 | 3.77 | H.Bond | A | No SSE | 110 | HIS | CD2 | O7N | A | 350 | 3.82 | van der Waals | A | No SSE | 110 | HIS | CD2 | N7N | A | 350 | 3.75 | H.Bond | A | No SSE | 110 | HIS | NE2 | C7N | A | 350 | 3.84 | H.Bond | A | No SSE | 110 | HIS | NE2 | O7N | A | 350 | 3.82 | H.Bond | A | No SSE | 110 | HIS | NE2 | N7N | A | 350 | 3.76 | H.Bond | A | No SSE | 111 | TRP | NE1 | O7N | A | 350 | 3.96 | H.Bond | A | No SSE | 111 | TRP | CE2 | O7N | A | 350 | 3.76 | van der Waals | A | No SSE | 111 | TRP | CZ2 | O7N | A | 350 | 3.43 | van der Waals | A | No SSE | 159 | SER | OG | C7N | A | 350 | 3.88 | van der Waals | A | No SSE | 159 | SER | OG | O7N | A | 350 | 3.99 | H.Bond | A | No SSE | 159 | SER | OG | N7N | A | 350 | 2.92 | H.Bond | A | No SSE | 160 | ASN | CG | O7N | A | 350 | 3.78 | van der Waals | A | No SSE | 160 | ASN | OD1 | O7N | A | 350 | 3.86 | H.Bond | A | No SSE | 160 | ASN | ND2 | C7N | A | 350 | 3.74 | H.Bond | A | No SSE | 160 | ASN | ND2 | O7N | A | 350 | 2.82 | H.Bond | A | No SSE | 160 | ASN | ND2 | N7N | A | 350 | 3.91 | H.Bond | A | 181-185 S: 0 | 183 | GLN | CD | N7N | A | 350 | 3.77 | H.Bond | A | 181-185 S: 0 | 183 | GLN | OE1 | C1D | A | 350 | 3.92 | van der Waals | A | 181-185 S: 0 | 183 | GLN | OE1 | N1N | A | 350 | 3.87 | H.Bond | A | 181-185 S: 0 | 183 | GLN | OE1 | C2N | A | 350 | 2.97 | van der Waals | A | 181-185 S: 0 | 183 | GLN | OE1 | C3N | A | 350 | 3.81 | van der Waals | A | 181-185 S: 0 | 183 | GLN | OE1 | C7N | A | 350 | 3.82 | van der Waals | A | 181-185 S: 0 | 183 | GLN | OE1 | N7N | A | 350 | 2.98 | H.Bond | A | 205-209 S: 1 | 209 | TYR | CA | O4D | A | 350 | 3.84 | van der Waals | A | 205-209 S: 1 | 209 | TYR | CB | O4D | A | 350 | 3.27 | van der Waals | A | 205-209 S: 1 | 209 | TYR | CB | C1D | A | 350 | 3.72 | van der Waals | A | 205-209 S: 1 | 209 | TYR | CB | N1N | A | 350 | 3.37 | H.Bond | A | 205-209 S: 1 | 209 | TYR | CB | C2N | A | 350 | 3.59 | van der Waals | A | 205-209 S: 1 | 209 | TYR | CB | C6N | A | 350 | 3.7 | van der Waals | A | 205-209 S: 1 | 209 | TYR | CG | N1N | A | 350 | 3.72 | H.Bond | A | 205-209 S: 1 | 209 | TYR | CG | C2N | A | 350 | 3.61 | van der Waals | A | 205-209 S: 1 | 209 | TYR | CG | C3N | A | 350 | 3.59 | van der Waals | A | 205-209 S: 1 | 209 | TYR | CG | C4N | A | 350 | 3.68 | van der Waals | A | 205-209 S: 1 | 209 | TYR | CG | C5N | A | 350 | 3.75 | van der Waals | A | 205-209 S: 1 | 209 | TYR | CG | C6N | A | 350 | 3.76 | van der Waals | A | 205-209 S: 1 | 209 | TYR | CD1 | C3N | A | 350 | 3.92 | van der Waals | A | 205-209 S: 1 | 209 | TYR | CD1 | C4N | A | 350 | 3.49 | van der Waals | A | 205-209 S: 1 | 209 | TYR | CD1 | C5N | A | 350 | 3.34 | van der Waals | A | 205-209 S: 1 | 209 | TYR | CD1 | C6N | A | 350 | 3.65 | van der Waals | A | 205-209 S: 1 | 209 | TYR | CD2 | C2N | A | 350 | 3.6 | van der Waals | A | 205-209 S: 1 | 209 | TYR | CD2 | C3N | A | 350 | 3.34 | van der Waals | A | 205-209 S: 1 | 209 | TYR | CD2 | C7N | A | 350 | 3.52 | van der Waals | A | 205-209 S: 1 | 209 | TYR | CD2 | N7N | A | 350 | 3.79 | H.Bond | A | 205-209 S: 1 | 209 | TYR | CD2 | C4N | A | 350 | 3.74 | van der Waals | A | 205-209 S: 1 | 209 | TYR | CE1 | C3N | A | 350 | 3.98 | van der Waals | A | 205-209 S: 1 | 209 | TYR | CE1 | C4N | A | 350 | 3.33 | van der Waals | A | 205-209 S: 1 | 209 | TYR | CE1 | C5N | A | 350 | 3.49 | van der Waals | A | 205-209 S: 1 | 209 | TYR | CE2 | C3N | A | 350 | 3.41 | van der Waals | A | 205-209 S: 1 | 209 | TYR | CE2 | C7N | A | 350 | 3.25 | van der Waals | A | 205-209 S: 1 | 209 | TYR | CE2 | O7N | A | 350 | 3.37 | van der Waals | A | 205-209 S: 1 | 209 | TYR | CE2 | N7N | A | 350 | 3.75 | H.Bond | A | 205-209 S: 1 | 209 | TYR | CE2 | C4N | A | 350 | 3.6 | van der Waals | A | 205-209 S: 1 | 209 | TYR | CZ | C3N | A | 350 | 3.71 | van der Waals | A | 205-209 S: 1 | 209 | TYR | CZ | C7N | A | 350 | 3.8 | van der Waals | A | 205-209 S: 1 | 209 | TYR | CZ | O7N | A | 350 | 3.66 | van der Waals | A | 205-209 S: 1 | 209 | TYR | CZ | C4N | A | 350 | 3.37 | van der Waals | A | 205-209 S: 1 | 209 | TYR | OH | O7N | A | 350 | 3.64 | H.Bond | A | 205-209 S: 1 | 209 | TYR | OH | C4N | A | 350 | 3.91 | van der Waals | A | No SSE | 210 | SER | N | O5D | A | 350 | 2.99 | H.Bond | A | No SSE | 210 | SER | N | C5D | A | 350 | 3.69 | H.Bond | A | No SSE | 210 | SER | N | O4D | A | 350 | 3.85 | H.Bond | A | No SSE | 210 | SER | CA | PA | A | 350 | 3.96 | | A | No SSE | 210 | SER | CA | O1A | A | 350 | 3.23 | van der Waals | A | No SSE | 210 | SER | CA | O3 | A | 350 | 3.88 | van der Waals | A | No SSE | 210 | SER | CA | PN | A | 350 | 3.91 | | A | No SSE | 210 | SER | CA | O2N | A | 350 | 3.85 | van der Waals | A | No SSE | 210 | SER | CA | O5D | A | 350 | 3.19 | van der Waals | A | No SSE | 210 | SER | C | O1A | A | 350 | 3.2 | van der Waals | A | No SSE | 210 | SER | O | O1A | A | 350 | 3.58 | H.Bond | A | No SSE | 210 | SER | CB | O2N | A | 350 | 3.7 | van der Waals | A | No SSE | 210 | SER | CB | O5D | A | 350 | 3.97 | van der Waals | A | No SSE | 210 | SER | OG | PN | A | 350 | 3.68 | | A | No SSE | 210 | SER | OG | O2N | A | 350 | 2.72 | H.Bond | A | No SSE | 210 | SER | OG | O5D | A | 350 | 3.54 | H.Bond | A | No SSE | 210 | SER | OG | C5N | A | 350 | 3.83 | van der Waals | A | No SSE | 210 | SER | OG | C6N | A | 350 | 3.9 | van der Waals | A | No SSE | 211 | PRO | N | O1A | A | 350 | 3.34 | H.Bond | A | No SSE | 211 | PRO | C | O1A | A | 350 | 3.92 | van der Waals | A | No SSE | 211 | PRO | CD | O1A | A | 350 | 3.5 | van der Waals | A | No SSE | 211 | PRO | CD | O2A | A | 350 | 3.69 | van der Waals | A | No SSE | 212 | LEU | N | O1A | A | 350 | 2.84 | H.Bond | A | No SSE | 212 | LEU | CA | O1A | A | 350 | 3.41 | van der Waals | A | No SSE | 212 | LEU | C | O1A | A | 350 | 3.55 | van der Waals | A | No SSE | 212 | LEU | CB | O1A | A | 350 | 3.47 | van der Waals | A | No SSE | 212 | LEU | CB | O5B | A | 350 | 3.94 | van der Waals | A | No SSE | 212 | LEU | CD1 | O4B | A | 350 | 3.87 | van der Waals | A | No SSE | 212 | LEU | CD1 | N9A | A | 350 | 3.77 | H.Bond | A | No SSE | 212 | LEU | CD1 | C8A | A | 350 | 3.41 | van der Waals | A | No SSE | 212 | LEU | CD1 | N7A | A | 350 | 3.38 | H.Bond | A | No SSE | 212 | LEU | CD1 | C5A | A | 350 | 3.7 | van der Waals | A | No SSE | 212 | LEU | CD1 | C4A | A | 350 | 3.95 | van der Waals | A | No SSE | 213 | GLY | N | O1A | A | 350 | 3.38 | H.Bond | A | No SSE | 214 | SER | N | PA | A | 350 | 3.84 | | A | No SSE | 214 | SER | N | O1A | A | 350 | 3.03 | H.Bond | A | No SSE | 214 | SER | N | O5B | A | 350 | 3.85 | H.Bond | A | No SSE | 214 | SER | N | O3 | A | 350 | 3.67 | H.Bond | A | No SSE | 214 | SER | CA | PA | A | 350 | 3.95 | | A | No SSE | 214 | SER | CA | O1A | A | 350 | 3.66 | van der Waals | A | No SSE | 214 | SER | CA | O5B | A | 350 | 3.77 | van der Waals | A | No SSE | 214 | SER | CA | O3 | A | 350 | 3.27 | van der Waals | A | No SSE | 214 | SER | CB | O3 | A | 350 | 3.57 | van der Waals | A | No SSE | 214 | SER | CB | O2N | A | 350 | 3.36 | van der Waals | A | No SSE | 214 | SER | OG | O3 | A | 350 | 3.54 | H.Bond | A | No SSE | 214 | SER | OG | PN | A | 350 | 3.76 | | A | No SSE | 214 | SER | OG | O2N | A | 350 | 2.82 | H.Bond | A | No SSE | 215 | PRO | CG | C4B | A | 350 | 3.65 | van der Waals | A | No SSE | 215 | PRO | CG | O4B | A | 350 | 3.57 | van der Waals | A | No SSE | 215 | PRO | CD | O5B | A | 350 | 3.65 | van der Waals | A | No SSE | 215 | PRO | CD | C4B | A | 350 | 3.7 | van der Waals | A | No SSE | 215 | PRO | CD | O4B | A | 350 | 3.87 | van der Waals | A | No SSE | 216 | ASP | N | O3B | A | 350 | 3.87 | H.Bond | A | No SSE | 216 | ASP | CB | O3B | A | 350 | 3.24 | van der Waals | A | No SSE | 216 | ASP | CG | C4B | A | 350 | 3.95 | van der Waals | A | No SSE | 216 | ASP | CG | C3B | A | 350 | 3.48 | van der Waals | A | No SSE | 216 | ASP | CG | O3B | A | 350 | 3.07 | van der Waals | A | No SSE | 216 | ASP | OD1 | C5B | A | 350 | 3.58 | van der Waals | A | No SSE | 216 | ASP | OD1 | C4B | A | 350 | 3.44 | van der Waals | A | No SSE | 216 | ASP | OD1 | C3B | A | 350 | 3.48 | van der Waals | A | No SSE | 216 | ASP | OD1 | O3B | A | 350 | 3.32 | H.Bond | A | No SSE | 216 | ASP | OD2 | C3B | A | 350 | 3.57 | van der Waals | A | No SSE | 216 | ASP | OD2 | O3B | A | 350 | 3.43 | H.Bond | A | No SSE | 228 | LEU | CD1 | C2A | A | 350 | 3.92 | van der Waals | A | No SSE | 228 | LEU | CD1 | N3A | A | 350 | 3.8 | H.Bond | A | 244-255 H: 1 | 245 | ALA | CB | C6A | A | 350 | 3.87 | van der Waals | A | 244-255 H: 1 | 245 | ALA | CB | N6A | A | 350 | 3.3 | H.Bond | A | No SSE | 260 | ILE | O | C5D | A | 350 | 3.07 | van der Waals | A | No SSE | 260 | ILE | O | C4D | A | 350 | 3.19 | van der Waals | A | No SSE | 260 | ILE | O | O4D | A | 350 | 3.79 | H.Bond | A | No SSE | 260 | ILE | CG1 | O4D | A | 350 | 3.55 | van der Waals | A | No SSE | 260 | ILE | CD1 | O4D | A | 350 | 3.33 | van der Waals | A | No SSE | 260 | ILE | CD1 | C1D | A | 350 | 3.6 | van der Waals | A | No SSE | 261 | PRO | CA | O2A | A | 350 | 3.52 | van der Waals | A | No SSE | 261 | PRO | C | O2A | A | 350 | 3.68 | van der Waals | A | No SSE | 262 | LYS | N | O2A | A | 350 | 2.88 | H.Bond | A | No SSE | 262 | LYS | N | C5D | A | 350 | 3.83 | H.Bond | A | No SSE | 262 | LYS | CA | O2A | A | 350 | 3.82 | van der Waals | A | No SSE | 262 | LYS | O | C5B | A | 350 | 3.44 | van der Waals | A | No SSE | 262 | LYS | O | C3B | A | 350 | 3.95 | van der Waals | A | No SSE | 262 | LYS | O | C2B | A | 350 | 3.47 | van der Waals | A | No SSE | 262 | LYS | O | C8A | A | 350 | 3.22 | van der Waals | A | No SSE | 262 | LYS | CB | O2A | A | 350 | 3.73 | van der Waals | A | No SSE | 262 | LYS | CB | O1N | A | 350 | 3.35 | van der Waals | A | No SSE | 262 | LYS | CB | C5D | A | 350 | 3.82 | van der Waals | A | No SSE | 262 | LYS | CB | O3D | A | 350 | 3.21 | van der Waals | A | No SSE | 262 | LYS | CG | O1N | A | 350 | 3.93 | van der Waals | A | No SSE | 262 | LYS | CG | O3D | A | 350 | 3.65 | van der Waals | A | No SSE | 262 | LYS | CD | C5B | A | 350 | 3.89 | van der Waals | A | No SSE | 262 | LYS | CD | C3B | A | 350 | 3.87 | van der Waals | A | No SSE | 262 | LYS | CD | O1X | A | 350 | 3.6 | van der Waals | A | No SSE | 262 | LYS | CE | O1X | A | 350 | 3.51 | van der Waals | A | No SSE | 262 | LYS | NZ | C3B | A | 350 | 3.89 | H.Bond | A | No SSE | 262 | LYS | NZ | P2B | A | 350 | 3.96 | | A | No SSE | 262 | LYS | NZ | O1X | A | 350 | 2.72 | H.Bond | A | No SSE | 263 | SER | CA | O1X | A | 350 | 3.2 | van der Waals | A | No SSE | 263 | SER | CA | O3X | A | 350 | 3.79 | van der Waals | A | No SSE | 263 | SER | C | O1X | A | 350 | 3.61 | van der Waals | A | No SSE | 263 | SER | CB | C8A | A | 350 | 3.84 | van der Waals | A | No SSE | 263 | SER | CB | O1X | A | 350 | 3.96 | van der Waals | A | No SSE | 263 | SER | CB | O3X | A | 350 | 3.54 | van der Waals | A | No SSE | 263 | SER | OG | P2B | A | 350 | 3.74 | | A | No SSE | 263 | SER | OG | O1X | A | 350 | 3.81 | H.Bond | A | No SSE | 263 | SER | OG | O3X | A | 350 | 2.64 | H.Bond | A | No SSE | 264 | VAL | N | P2B | A | 350 | 3.89 | | A | No SSE | 264 | VAL | N | O1X | A | 350 | 3.09 | H.Bond | A | No SSE | 264 | VAL | N | O3X | A | 350 | 3.76 | H.Bond | A | No SSE | 264 | VAL | CG2 | O1X | A | 350 | 3.7 | van der Waals | A | No SSE | 265 | THR | N | O3X | A | 350 | 3.85 | H.Bond | A | No SSE | 265 | THR | CB | O3X | A | 350 | 3.48 | van der Waals | A | No SSE | 265 | THR | OG1 | P2B | A | 350 | 3.8 | | A | No SSE | 265 | THR | OG1 | O2X | A | 350 | 3.64 | H.Bond | A | No SSE | 265 | THR | OG1 | O3X | A | 350 | 2.94 | H.Bond | A | 266-273 H: 1 | 268 | ARG | CB | N7A | A | 350 | 3.94 | H.Bond | A | 266-273 H: 1 | 268 | ARG | CG | C6A | A | 350 | 3.9 | van der Waals | A | 266-273 H: 1 | 268 | ARG | CD | C5A | A | 350 | 3.77 | van der Waals | A | 266-273 H: 1 | 268 | ARG | CD | C4A | A | 350 | 3.82 | van der Waals | A | 266-273 H: 1 | 268 | ARG | CD | O3X | A | 350 | 3.32 | van der Waals | A | 266-273 H: 1 | 268 | ARG | CZ | O3X | A | 350 | 3.91 | van der Waals | A | 266-273 H: 1 | 268 | ARG | NH1 | O2B | A | 350 | 3.51 | H.Bond | A | 266-273 H: 1 | 268 | ARG | NH1 | P2B | A | 350 | 3.48 | | A | 266-273 H: 1 | 268 | ARG | NH1 | O2X | A | 350 | 3.23 | H.Bond | A | 266-273 H: 1 | 268 | ARG | NH1 | O3X | A | 350 | 3.01 | H.Bond | A | 266-273 H: 1 | 271 | GLU | CD | N6A | A | 350 | 3.5 | H.Bond | A | 266-273 H: 1 | 271 | GLU | OE1 | N6A | A | 350 | 3.88 | H.Bond | A | 266-273 H: 1 | 271 | GLU | OE2 | N6A | A | 350 | 3.06 | H.Bond | A | 266-273 H: 1 | 272 | ASN | CG | N7A | A | 350 | 3.76 | H.Bond | A | 266-273 H: 1 | 272 | ASN | CG | N6A | A | 350 | 3.95 | H.Bond | A | 266-273 H: 1 | 272 | ASN | OD1 | N7A | A | 350 | 3.69 | H.Bond | A | 266-273 H: 1 | 272 | ASN | OD1 | C6A | A | 350 | 3.94 | van der Waals | A | 266-273 H: 1 | 272 | ASN | OD1 | N6A | A | 350 | 2.97 | H.Bond | A | 266-273 H: 1 | 272 | ASN | ND2 | C8A | A | 350 | 3.75 | H.Bond | A | 266-273 H: 1 | 272 | ASN | ND2 | N7A | A | 350 | 2.94 | H.Bond | A | Water | 536 | HOH | O | C3B | A | 350 | 3.68 | van der Waals | A | Water | 536 | HOH | O | O3B | A | 350 | 2.88 | H.Bond | A | Water | 536 | HOH | O | O2B | A | 350 | 3.31 | H.Bond | A | Water | 536 | HOH | O | P2B | A | 350 | 3.54 | | A | Water | 536 | HOH | O | O1X | A | 350 | 3.69 | H.Bond | A | Water | 536 | HOH | O | O2X | A | 350 | 2.93 | H.Bond | A | Water | 540 | HOH | O | C6A | A | 350 | 3.61 | van der Waals | A | Water | 540 | HOH | O | N6A | A | 350 | 3.64 | H.Bond | A | Water | 540 | HOH | O | N1A | A | 350 | 2.69 | H.Bond | A | Water | 540 | HOH | O | C2A | A | 350 | 3.5 | van der Waals | A | Water | 571 | HOH | O | C4N | A | 350 | 3.46 | van der Waals | A | Water | 571 | HOH | O | C5N | A | 350 | 3.42 | van der Waals | A | Water | 731 | HOH | O | C1B | A | 350 | 3.99 | van der Waals | A | Water | 731 | HOH | O | C2A | A | 350 | 3.68 | van der Waals | A | Water | 731 | HOH | O | N3A | A | 350 | 2.99 | H.Bond | A | Water | 739 | HOH | O | O2X | A | 350 | 2.72 | H.Bond | A | Water | 816 | HOH | O | O2B | A | 350 | 3.72 | H.Bond | |
Nbr of Motifs per PDB entry | PDB Entry | Title | Determination Method | Resolution | R-Factor |
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1 | 4Z0P | Crystal structure of NADP-dependent dehydrogenase from Sinorhizobium meliloti in complex with NADPH and oxalate | X-ray | 1.70 | 0.135
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| Motif No./Chain | Motif | Bound Ligand /(Nbr. in PDB) | Show Details |
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| 1 / A |
> Structure: LLLHLLHSLLLLLLLHLLHLLLLLL
+15w
> Sequence: AGRMGMGVLWSRSRLLPDTAGRDVHAAY
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NDP /(407) |
[+] |
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> Graphics rep1:
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> Graphics rep2:
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Protein Chain | Prot SSE | Res Nbr | Res Name | RsAt.Name | LgAt.Name |
Lg Chain | Lg Nbr | Bnd Len | Bnd Type |
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A | No SSE | 74 | ALA | CB | C5N | A | 407 | 3.94 | van der Waals | A | No SSE | 74 | ALA | CB | C6N | A | 407 | 3.74 | van der Waals | A | No SSE | 75 | GLY | N | C2D | A | 407 | 3.94 | H.Bond | A | No SSE | 75 | GLY | CA | C3D | A | 407 | 3.95 | van der Waals | A | No SSE | 75 | GLY | CA | O3D | A | 407 | 3.74 | van der Waals | A | No SSE | 75 | GLY | CA | C2D | A | 407 | 3.75 | van der Waals | A | No SSE | 92 | ARG | CZ | O1A | A | 407 | 3.9 | van der Waals | A | No SSE | 92 | ARG | CZ | O3 | A | 407 | 3.91 | van der Waals | A | No SSE | 92 | ARG | CZ | O2N | A | 407 | 3.46 | van der Waals | A | No SSE | 92 | ARG | NH1 | O3 | A | 407 | 3.58 | H.Bond | A | No SSE | 92 | ARG | NH1 | PN | A | 407 | 3.74 | | A | No SSE | 92 | ARG | NH1 | O2N | A | 407 | 2.82 | H.Bond | A | No SSE | 92 | ARG | NH2 | PA | A | 407 | 3.54 | | A | No SSE | 92 | ARG | NH2 | O1A | A | 407 | 3.61 | H.Bond | A | No SSE | 92 | ARG | NH2 | O2A | A | 407 | 3.04 | H.Bond | A | No SSE | 92 | ARG | NH2 | O3 | A | 407 | 3.7 | H.Bond | A | No SSE | 92 | ARG | NH2 | O2N | A | 407 | 3.21 | H.Bond | A | 95-115 H: 1 | 102 | MET | CE | C2N | A | 407 | 3.82 | van der Waals | A | 95-115 H: 1 | 102 | MET | CE | C3N | A | 407 | 3.53 | van der Waals | A | 95-115 H: 1 | 102 | MET | CE | C7N | A | 407 | 3.76 | van der Waals | A | 95-115 H: 1 | 102 | MET | CE | N7N | A | 407 | 3.96 | H.Bond | A | 95-115 H: 1 | 102 | MET | CE | C4N | A | 407 | 3.78 | van der Waals | A | No SSE | 146 | GLY | CA | O4B | A | 407 | 3.83 | van der Waals | A | No SSE | 146 | GLY | C | O3B | A | 407 | 3.99 | van der Waals | A | No SSE | 147 | MET | N | O3B | A | 407 | 3.04 | H.Bond | A | No SSE | 147 | MET | CA | O3B | A | 407 | 3.6 | van der Waals | A | No SSE | 147 | MET | CA | O3B | A | 407 | 3.65 | van der Waals | A | No SSE | 147 | MET | C | O3B | A | 407 | 3.26 | van der Waals | A | No SSE | 147 | MET | O | O3B | A | 407 | 3.63 | H.Bond | A | 148-161 H: 1 | 148 | GLY | N | O5B | A | 407 | 3.79 | H.Bond | A | 148-161 H: 1 | 148 | GLY | N | C4B | A | 407 | 3.91 | H.Bond | A | 148-161 H: 1 | 148 | GLY | N | C3B | A | 407 | 3.96 | H.Bond | A | 148-161 H: 1 | 148 | GLY | N | O3B | A | 407 | 3.32 | H.Bond | A | 148-161 H: 1 | 148 | GLY | CA | PA | A | 407 | 3.96 | | A | 148-161 H: 1 | 148 | GLY | CA | O2A | A | 407 | 3.38 | van der Waals | A | 148-161 H: 1 | 148 | GLY | CA | O5B | A | 407 | 3.26 | van der Waals | A | 148-161 H: 1 | 148 | GLY | CA | O3B | A | 407 | 3.87 | van der Waals | A | 148-161 H: 1 | 148 | GLY | CA | O1N | A | 407 | 3.99 | van der Waals | A | 148-161 H: 1 | 148 | GLY | C | O2A | A | 407 | 3.63 | van der Waals | A | 148-161 H: 1 | 148 | GLY | C | O1N | A | 407 | 3.8 | van der Waals | A | 148-161 H: 1 | 149 | VAL | N | O2A | A | 407 | 2.91 | H.Bond | A | 148-161 H: 1 | 149 | VAL | N | O1N | A | 407 | 3.31 | H.Bond | A | 148-161 H: 1 | 149 | VAL | CA | O2A | A | 407 | 3.97 | van der Waals | A | 148-161 H: 1 | 149 | VAL | CA | O1N | A | 407 | 3.93 | van der Waals | A | 148-161 H: 1 | 149 | VAL | C | O1N | A | 407 | 3.89 | van der Waals | A | 148-161 H: 1 | 149 | VAL | CB | O2A | A | 407 | 3.88 | van der Waals | A | 148-161 H: 1 | 149 | VAL | CB | O2N | A | 407 | 3.75 | van der Waals | A | 148-161 H: 1 | 149 | VAL | CG2 | O2A | A | 407 | 3.68 | van der Waals | A | 148-161 H: 1 | 150 | LEU | N | O1N | A | 407 | 2.93 | H.Bond | A | 148-161 H: 1 | 150 | LEU | CA | O1N | A | 407 | 3.74 | van der Waals | A | 148-161 H: 1 | 150 | LEU | CB | O1N | A | 407 | 3.45 | van der Waals | A | 148-161 H: 1 | 150 | LEU | CG | PN | A | 407 | 3.91 | | A | 148-161 H: 1 | 150 | LEU | CG | O1N | A | 407 | 3.53 | van der Waals | A | 148-161 H: 1 | 150 | LEU | CG | O2N | A | 407 | 3.86 | van der Waals | A | 148-161 H: 1 | 150 | LEU | CG | O5D | A | 407 | 3.96 | van der Waals | A | 148-161 H: 1 | 150 | LEU | CD1 | O5D | A | 407 | 3.61 | van der Waals | A | 148-161 H: 1 | 150 | LEU | CD1 | O4D | A | 407 | 3.73 | van der Waals | A | 148-161 H: 1 | 150 | LEU | CD1 | C5N | A | 407 | 3.75 | van der Waals | A | 148-161 H: 1 | 150 | LEU | CD1 | C6N | A | 407 | 3.45 | van der Waals | A | 164-168 S: 1 | 168 | TRP | CZ3 | C2A | A | 407 | 3.46 | van der Waals | A | 164-168 S: 1 | 168 | TRP | CH2 | N1A | A | 407 | 3.64 | H.Bond | A | 164-168 S: 1 | 168 | TRP | CH2 | C2A | A | 407 | 3.36 | van der Waals | A | No SSE | 169 | SER | CA | N3A | A | 407 | 3.6 | H.Bond | A | No SSE | 169 | SER | C | C2A | A | 407 | 3.75 | van der Waals | A | No SSE | 169 | SER | C | N3A | A | 407 | 3.67 | H.Bond | A | No SSE | 169 | SER | CB | O3B | A | 407 | 3.52 | van der Waals | A | No SSE | 169 | SER | CB | O2B | A | 407 | 3.77 | van der Waals | A | No SSE | 170 | ARG | N | O2B | A | 407 | 3.92 | H.Bond | A | No SSE | 170 | ARG | N | C2A | A | 407 | 3.22 | H.Bond | A | No SSE | 170 | ARG | N | N3A | A | 407 | 3.09 | H.Bond | A | No SSE | 170 | ARG | N | O2X | A | 407 | 3.74 | H.Bond | A | No SSE | 170 | ARG | CA | C2A | A | 407 | 3.67 | van der Waals | A | No SSE | 170 | ARG | CA | N3A | A | 407 | 3.92 | H.Bond | A | No SSE | 170 | ARG | CA | O2X | A | 407 | 3.95 | van der Waals | A | No SSE | 170 | ARG | CB | N1A | A | 407 | 3.96 | H.Bond | A | No SSE | 170 | ARG | CB | C2A | A | 407 | 3.65 | van der Waals | A | No SSE | 170 | ARG | CB | N3A | A | 407 | 3.85 | H.Bond | A | No SSE | 170 | ARG | CB | O2X | A | 407 | 3.55 | van der Waals | A | No SSE | 170 | ARG | CZ | N6A | A | 407 | 3.92 | H.Bond | A | No SSE | 170 | ARG | NH1 | N6A | A | 407 | 3.66 | H.Bond | A | No SSE | 171 | SER | N | O2X | A | 407 | 3.19 | H.Bond | A | No SSE | 171 | SER | CB | O2X | A | 407 | 3.83 | van der Waals | A | No SSE | 171 | SER | OG | P2B | A | 407 | 3.92 | | A | No SSE | 171 | SER | OG | O2X | A | 407 | 2.8 | H.Bond | A | No SSE | 173 | ARG | NE | O1X | A | 407 | 3.21 | H.Bond | A | No SSE | 173 | ARG | CZ | O1X | A | 407 | 3.3 | van der Waals | A | No SSE | 173 | ARG | NH1 | O3B | A | 407 | 3.88 | H.Bond | A | No SSE | 173 | ARG | NH1 | O1X | A | 407 | 2.76 | H.Bond | A | No SSE | 199 | LEU | O | C5D | A | 407 | 3.58 | van der Waals | A | No SSE | 200 | LEU | C | C4D | A | 407 | 3.95 | van der Waals | A | No SSE | 200 | LEU | O | C4D | A | 407 | 3.87 | van der Waals | A | No SSE | 200 | LEU | CD2 | O4B | A | 407 | 3.59 | van der Waals | A | No SSE | 200 | LEU | CD2 | C1B | A | 407 | 3.81 | van der Waals | A | No SSE | 200 | LEU | CD2 | N9A | A | 407 | 3.66 | H.Bond | A | No SSE | 200 | LEU | CD2 | N3A | A | 407 | 3.7 | H.Bond | A | No SSE | 200 | LEU | CD2 | C4A | A | 407 | 3.6 | van der Waals | A | No SSE | 201 | PRO | N | C4D | A | 407 | 3.96 | H.Bond | A | No SSE | 201 | PRO | N | O3D | A | 407 | 3.84 | H.Bond | A | No SSE | 201 | PRO | CA | O3D | A | 407 | 3.29 | van der Waals | A | No SSE | 201 | PRO | CA | O2D | A | 407 | 3.95 | van der Waals | A | No SSE | 201 | PRO | CB | O3D | A | 407 | 3.25 | van der Waals | A | No SSE | 201 | PRO | CG | C8A | A | 407 | 3.79 | van der Waals | A | No SSE | 201 | PRO | CD | C5B | A | 407 | 3.78 | van der Waals | A | No SSE | 201 | PRO | CD | O4B | A | 407 | 3.4 | van der Waals | A | No SSE | 201 | PRO | CD | C8A | A | 407 | 3.78 | van der Waals | A | 203-207 H: 5 | 205 | ASP | CB | N6A | A | 407 | 3.71 | H.Bond | A | 203-207 H: 5 | 206 | THR | CG2 | N7A | A | 407 | 3.99 | H.Bond | A | 203-207 H: 5 | 206 | THR | CG2 | N6A | A | 407 | 3.83 | H.Bond | A | No SSE | 232 | ALA | C | N7N | A | 407 | 3.82 | H.Bond | A | No SSE | 232 | ALA | O | N1N | A | 407 | 3.83 | H.Bond | A | No SSE | 232 | ALA | O | C2N | A | 407 | 3.04 | van der Waals | A | No SSE | 232 | ALA | O | C3N | A | 407 | 3.67 | van der Waals | A | No SSE | 232 | ALA | O | C7N | A | 407 | 3.7 | van der Waals | A | No SSE | 232 | ALA | O | N7N | A | 407 | 2.94 | H.Bond | A | No SSE | 233 | GLY | CA | C1D | A | 407 | 3.98 | van der Waals | A | No SSE | 233 | GLY | O | O2D | A | 407 | 3.69 | H.Bond | A | No SSE | 233 | GLY | O | C1D | A | 407 | 3.68 | van der Waals | A | No SSE | 233 | GLY | O | C2N | A | 407 | 3.6 | van der Waals | A | 234-238 H: 5 | 234 | ARG | CG | O2D | A | 407 | 3.35 | van der Waals | A | 234-238 H: 5 | 234 | ARG | CD | O2D | A | 407 | 3.9 | van der Waals | A | 234-238 H: 5 | 234 | ARG | NE | O2D | A | 407 | 3.48 | H.Bond | A | 234-238 H: 5 | 234 | ARG | CZ | C2D | A | 407 | 3.78 | van der Waals | A | 234-238 H: 5 | 234 | ARG | CZ | O2D | A | 407 | 3.18 | van der Waals | A | 234-238 H: 5 | 234 | ARG | NH1 | C2D | A | 407 | 3.56 | H.Bond | A | 234-238 H: 5 | 234 | ARG | NH1 | O2D | A | 407 | 3.16 | H.Bond | A | 234-238 H: 5 | 234 | ARG | NH1 | C1D | A | 407 | 3.74 | H.Bond | A | 234-238 H: 5 | 234 | ARG | NH1 | N1N | A | 407 | 3.72 | H.Bond | A | 234-238 H: 5 | 234 | ARG | NH1 | C2N | A | 407 | 3.4 | H.Bond | A | 234-238 H: 5 | 234 | ARG | NH2 | C2D | A | 407 | 3.93 | H.Bond | A | 234-238 H: 5 | 234 | ARG | NH2 | O2D | A | 407 | 3.66 | H.Bond | A | No SSE | 258 | ASP | OD2 | C7N | A | 407 | 3.73 | van der Waals | A | No SSE | 258 | ASP | OD2 | O7N | A | 407 | 3.7 | H.Bond | A | No SSE | 258 | ASP | OD2 | N7N | A | 407 | 2.91 | H.Bond | A | No SSE | 259 | VAL | CG1 | N7N | A | 407 | 3.78 | H.Bond | A | No SSE | 282 | HIS | CD2 | C7N | A | 407 | 3.64 | van der Waals | A | No SSE | 282 | HIS | CD2 | O7N | A | 407 | 3.45 | van der Waals | A | No SSE | 282 | HIS | CD2 | N7N | A | 407 | 3.65 | H.Bond | A | No SSE | 282 | HIS | NE2 | C7N | A | 407 | 3.71 | H.Bond | A | No SSE | 282 | HIS | NE2 | O7N | A | 407 | 3.83 | H.Bond | A | No SSE | 282 | HIS | NE2 | N7N | A | 407 | 3.8 | H.Bond | A | No SSE | 284 | ALA | N | O7N | A | 407 | 3.51 | H.Bond | A | No SSE | 284 | ALA | CB | C7N | A | 407 | 3.99 | van der Waals | A | No SSE | 284 | ALA | CB | O7N | A | 407 | 3.91 | van der Waals | A | No SSE | 284 | ALA | CB | N7N | A | 407 | 3.72 | H.Bond | A | No SSE | 285 | ALA | N | C7N | A | 407 | 3.98 | H.Bond | A | No SSE | 285 | ALA | N | O7N | A | 407 | 3.17 | H.Bond | A | No SSE | 285 | ALA | O | O7N | A | 407 | 3.63 | H.Bond | A | No SSE | 285 | ALA | O | C4N | A | 407 | 3.69 | van der Waals | A | No SSE | 285 | ALA | CB | C4N | A | 407 | 3.91 | van der Waals | A | No SSE | 319 | TYR | CD2 | O1A | A | 407 | 3.65 | van der Waals | A | No SSE | 319 | TYR | CE1 | C8A | A | 407 | 3.74 | van der Waals | A | No SSE | 319 | TYR | CE1 | N7A | A | 407 | 3.8 | H.Bond | A | No SSE | 319 | TYR | CE2 | C2B | A | 407 | 3.91 | van der Waals | A | No SSE | 319 | TYR | CE2 | C8A | A | 407 | 3.87 | van der Waals | A | No SSE | 319 | TYR | CE2 | O3X | A | 407 | 3.5 | van der Waals | A | No SSE | 319 | TYR | CZ | C8A | A | 407 | 3.48 | van der Waals | A | No SSE | 319 | TYR | CZ | N7A | A | 407 | 3.89 | H.Bond | A | No SSE | 319 | TYR | CZ | O3X | A | 407 | 3.58 | van der Waals | A | No SSE | 319 | TYR | OH | C8A | A | 407 | 3.61 | van der Waals | A | No SSE | 319 | TYR | OH | N7A | A | 407 | 3.88 | H.Bond | A | No SSE | 319 | TYR | OH | P2B | A | 407 | 3.94 | | A | No SSE | 319 | TYR | OH | O3X | A | 407 | 2.81 | H.Bond | A | Water | 536 | HOH | O | PA | A | 407 | 3.75 | | A | Water | 536 | HOH | O | O1A | A | 407 | 2.66 | H.Bond | A | Water | 536 | HOH | O | O2A | A | 407 | 3.93 | H.Bond | A | Water | 546 | HOH | O | C8A | A | 407 | 3.96 | van der Waals | A | Water | 546 | HOH | O | N7A | A | 407 | 2.8 | H.Bond | A | Water | 546 | HOH | O | C5A | A | 407 | 3.49 | van der Waals | A | Water | 546 | HOH | O | C6A | A | 407 | 3.63 | van der Waals | A | Water | 546 | HOH | O | N6A | A | 407 | 2.94 | H.Bond | A | Water | 558 | HOH | O | PA | A | 407 | 3.7 | | A | Water | 558 | HOH | O | O2A | A | 407 | 2.69 | H.Bond | A | Water | 565 | HOH | O | C3D | A | 407 | 3.66 | van der Waals | A | Water | 565 | HOH | O | O3D | A | 407 | 2.7 | H.Bond | A | Water | 574 | HOH | O | O5B | A | 407 | 3.68 | H.Bond | A | Water | 574 | HOH | O | O1N | A | 407 | 2.71 | H.Bond | A | Water | 599 | HOH | O | PA | A | 407 | 3.84 | | A | Water | 599 | HOH | O | O1A | A | 407 | 2.75 | H.Bond | A | Water | 599 | HOH | O | O3 | A | 407 | 3.65 | H.Bond | A | Water | 625 | HOH | O | C6A | A | 407 | 3.72 | van der Waals | A | Water | 625 | HOH | O | N6A | A | 407 | 3.82 | H.Bond | A | Water | 625 | HOH | O | N1A | A | 407 | 2.78 | H.Bond | A | Water | 625 | HOH | O | C2A | A | 407 | 3.52 | van der Waals | A | Water | 629 | HOH | O | C3B | A | 407 | 3.73 | van der Waals | A | Water | 629 | HOH | O | C2B | A | 407 | 3.97 | van der Waals | A | Water | 629 | HOH | O | P2B | A | 407 | 3.34 | | A | Water | 629 | HOH | O | O1X | A | 407 | 2.9 | H.Bond | A | Water | 629 | HOH | O | O3X | A | 407 | 2.79 | H.Bond | A | Water | 651 | HOH | O | C7N | A | 407 | 3.96 | van der Waals | A | Water | 651 | HOH | O | O7N | A | 407 | 2.8 | H.Bond | A | Water | 684 | HOH | O | O3D | A | 407 | 3.26 | H.Bond | A | Water | 684 | HOH | O | C2D | A | 407 | 3.91 | van der Waals | A | Water | 684 | HOH | O | O2D | A | 407 | 2.84 | H.Bond | A | Water | 685 | HOH | O | O2N | A | 407 | 2.84 | H.Bond | A | Water | 716 | HOH | O | O2A | A | 407 | 3.98 | H.Bond | A | Water | 743 | HOH | O | P2B | A | 407 | 3.77 | | A | Water | 743 | HOH | O | O2X | A | 407 | 2.93 | H.Bond | A | Water | 743 | HOH | O | O3X | A | 407 | 3.53 | H.Bond | A | Water | 761 | HOH | O | C6A | A | 407 | 3.89 | van der Waals | A | Water | 761 | HOH | O | N6A | A | 407 | 2.96 | H.Bond | A | Water | 761 | HOH | O | N1A | A | 407 | 3.91 | H.Bond | A | Water | 763 | HOH | O | O3D | A | 407 | 3.64 | H.Bond | |
Nbr of Motifs per PDB entry | PDB Entry | Title | Determination Method | Resolution | R-Factor |
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1 | 3DFR | CRYSTAL STRUCTURES OF ESCHERICHIA COLI AND LACTOBACILLUS CASEI DIHYDROFOLATE REDUCTASE REFINED AT 1.7 ANGSTROMS RESOLUTION. I. GENERAL FEATURES AND BINDING OF METHOTREXATE | X-RAY | 1.7 | 0.152
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| Motif No./Chain | Motif | Bound Ligand /(Nbr. in PDB) | Show Details |
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| 1 / A |
> Structure: SLLLLLLLSHSLLLSH
+13w
> Sequence: WAIGKGHLWGRRTLTHQHAGGAQI
|
NDP /(163) |
[+] |
|
> Graphics rep1:
|
[+] |
|
> Graphics rep2:
|
[+] |
| |
|
Protein Chain | Prot SSE | Res Nbr | Res Name | RsAt.Name | LgAt.Name |
Lg Chain | Lg Nbr | Bnd Len | Bnd Type |
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A | 1-7 S: 1 | 5 | TRP | CA | O7N | A | 163 | 3.46 | van der Waals | A | 1-7 S: 1 | 5 | TRP | C | O7N | A | 163 | 3.76 | van der Waals | A | 1-7 S: 1 | 5 | TRP | CB | O7N | A | 163 | 3.61 | van der Waals | A | 1-7 S: 1 | 6 | ALA | N | C7N | A | 163 | 3.83 | H.Bond | A | 1-7 S: 1 | 6 | ALA | N | O7N | A | 163 | 2.88 | H.Bond | A | 1-7 S: 1 | 6 | ALA | CA | O7N | A | 163 | 3.95 | van der Waals | A | 1-7 S: 1 | 6 | ALA | C | N7N | A | 163 | 3.85 | H.Bond | A | 1-7 S: 1 | 6 | ALA | O | C7N | A | 163 | 3.46 | van der Waals | A | 1-7 S: 1 | 6 | ALA | O | O7N | A | 163 | 3.45 | H.Bond | A | 1-7 S: 1 | 6 | ALA | O | N7N | A | 163 | 2.73 | H.Bond | A | No SSE | 13 | ILE | CA | N7N | A | 163 | 3.63 | H.Bond | A | No SSE | 13 | ILE | C | C2N | A | 163 | 3.97 | van der Waals | A | No SSE | 13 | ILE | C | N7N | A | 163 | 3.57 | H.Bond | A | No SSE | 13 | ILE | O | C1D | A | 163 | 3.68 | van der Waals | A | No SSE | 13 | ILE | O | N1N | A | 163 | 3.74 | H.Bond | A | No SSE | 13 | ILE | O | C2N | A | 163 | 3.15 | van der Waals | A | No SSE | 13 | ILE | O | C3N | A | 163 | 3.98 | van der Waals | A | No SSE | 13 | ILE | O | C7N | A | 163 | 3.78 | van der Waals | A | No SSE | 13 | ILE | O | N7N | A | 163 | 2.93 | H.Bond | A | No SSE | 13 | ILE | CB | N7N | A | 163 | 3.47 | H.Bond | A | No SSE | 14 | GLY | CA | O3D | A | 163 | 3.35 | van der Waals | A | No SSE | 14 | GLY | C | O3D | A | 163 | 3.85 | van der Waals | A | No SSE | 15 | LYS | N | O3D | A | 163 | 3.56 | H.Bond | A | No SSE | 17 | GLY | N | O3D | A | 163 | 3.76 | H.Bond | A | No SSE | 17 | GLY | CA | C3D | A | 163 | 3.89 | van der Waals | A | No SSE | 17 | GLY | CA | O3D | A | 163 | 3.63 | van der Waals | A | No SSE | 17 | GLY | C | C3D | A | 163 | 3.81 | van der Waals | A | No SSE | 17 | GLY | C | O3D | A | 163 | 3.55 | van der Waals | A | No SSE | 17 | GLY | C | O2D | A | 163 | 3.87 | van der Waals | A | No SSE | 17 | GLY | O | C3D | A | 163 | 3.96 | van der Waals | A | No SSE | 17 | GLY | O | O2D | A | 163 | 3.8 | H.Bond | A | No SSE | 18 | HIS | N | O3D | A | 163 | 3.39 | H.Bond | A | No SSE | 18 | HIS | N | O2D | A | 163 | 3.62 | H.Bond | A | No SSE | 18 | HIS | CA | O2D | A | 163 | 3.51 | van der Waals | A | No SSE | 18 | HIS | C | O3D | A | 163 | 3.88 | van der Waals | A | No SSE | 18 | HIS | C | O2D | A | 163 | 3.11 | van der Waals | A | No SSE | 18 | HIS | O | O3D | A | 163 | 2.98 | H.Bond | A | No SSE | 18 | HIS | O | C2D | A | 163 | 3.97 | van der Waals | A | No SSE | 18 | HIS | O | O2D | A | 163 | 2.89 | H.Bond | A | No SSE | 19 | LEU | N | O2D | A | 163 | 3.64 | H.Bond | A | No SSE | 19 | LEU | CD2 | C2N | A | 163 | 3.57 | van der Waals | A | No SSE | 19 | LEU | CD2 | C7N | A | 163 | 3.77 | van der Waals | A | No SSE | 19 | LEU | CD2 | N7N | A | 163 | 3.54 | H.Bond | A | No SSE | 21 | TRP | CZ2 | N7N | A | 163 | 3.73 | H.Bond | A | 36-42 S: 1 | 42 | GLY | CA | PA | A | 163 | 3.96 | | A | 36-42 S: 1 | 42 | GLY | CA | O2A | A | 163 | 3.68 | van der Waals | A | 36-42 S: 1 | 42 | GLY | CA | O5B | A | 163 | 3.64 | van der Waals | A | 36-42 S: 1 | 42 | GLY | CA | O4B | A | 163 | 3.87 | van der Waals | A | 36-42 S: 1 | 42 | GLY | C | O2A | A | 163 | 3.81 | van der Waals | A | 36-42 S: 1 | 42 | GLY | C | O5B | A | 163 | 3.76 | van der Waals | A | 36-42 S: 1 | 42 | GLY | O | O2A | A | 163 | 3.95 | H.Bond | A | 42-49 H: 1 | 43 | ARG | N | O5B | A | 163 | 3.83 | H.Bond | A | 42-49 H: 1 | 43 | ARG | N | C4B | A | 163 | 3.87 | H.Bond | A | 42-49 H: 1 | 43 | ARG | N | O4B | A | 163 | 3.62 | H.Bond | A | 42-49 H: 1 | 43 | ARG | CB | O2B | A | 163 | 3.66 | van der Waals | A | 42-49 H: 1 | 43 | ARG | CB | O1X | A | 163 | 3.41 | van der Waals | A | 42-49 H: 1 | 43 | ARG | CG | O1X | A | 163 | 3.38 | van der Waals | A | 42-49 H: 1 | 43 | ARG | CD | O1X | A | 163 | 3.5 | van der Waals | A | 42-49 H: 1 | 43 | ARG | NE | O2B | A | 163 | 3.97 | H.Bond | A | 42-49 H: 1 | 43 | ARG | NE | P2B | A | 163 | 3.7 | | A | 42-49 H: 1 | 43 | ARG | NE | O1X | A | 163 | 2.69 | H.Bond | A | 42-49 H: 1 | 43 | ARG | NE | O3X | A | 163 | 3.64 | H.Bond | A | 42-49 H: 1 | 43 | ARG | CZ | O1X | A | 163 | 3.7 | van der Waals | A | 42-49 H: 1 | 43 | ARG | CZ | O3X | A | 163 | 3.79 | van der Waals | A | 42-49 H: 1 | 43 | ARG | NH2 | O3B | A | 163 | 3.8 | H.Bond | A | 42-49 H: 1 | 43 | ARG | NH2 | P2B | A | 163 | 3.98 | | A | 42-49 H: 1 | 43 | ARG | NH2 | O1X | A | 163 | 3.78 | H.Bond | A | 42-49 H: 1 | 43 | ARG | NH2 | O3X | A | 163 | 2.96 | H.Bond | A | 42-49 H: 1 | 44 | ARG | N | O5B | A | 163 | 3.45 | H.Bond | A | 42-49 H: 1 | 44 | ARG | CB | O2A | A | 163 | 3.97 | van der Waals | A | 42-49 H: 1 | 44 | ARG | CB | O5B | A | 163 | 3.41 | van der Waals | A | 42-49 H: 1 | 44 | ARG | CB | O3 | A | 163 | 3.76 | van der Waals | A | 42-49 H: 1 | 44 | ARG | CD | O3 | A | 163 | 3.67 | van der Waals | A | 42-49 H: 1 | 44 | ARG | CD | O2N | A | 163 | 3.45 | van der Waals | A | 42-49 H: 1 | 44 | ARG | CZ | O2N | A | 163 | 3.99 | van der Waals | A | 42-49 H: 1 | 44 | ARG | NH1 | O2N | A | 163 | 3.08 | H.Bond | A | 42-49 H: 1 | 44 | ARG | NH2 | O3B | A | 163 | 3.89 | H.Bond | A | 42-49 H: 1 | 45 | THR | N | O2A | A | 163 | 3.2 | H.Bond | A | 42-49 H: 1 | 45 | THR | CA | O2A | A | 163 | 3.83 | van der Waals | A | 42-49 H: 1 | 45 | THR | CB | O2A | A | 163 | 3.46 | van der Waals | A | 42-49 H: 1 | 45 | THR | OG1 | O2A | A | 163 | 2.61 | H.Bond | A | 42-49 H: 1 | 45 | THR | OG1 | C5D | A | 163 | 3.58 | van der Waals | A | 42-49 H: 1 | 45 | THR | OG1 | C5N | A | 163 | 3.85 | van der Waals | A | 42-49 H: 1 | 45 | THR | OG1 | C6N | A | 163 | 3.28 | van der Waals | A | 42-49 H: 1 | 45 | THR | CG2 | C5N | A | 163 | 3.83 | van der Waals | A | 42-49 H: 1 | 45 | THR | CG2 | C6N | A | 163 | 3.96 | van der Waals | A | 56-63 S: 1 | 62 | LEU | C | N3A | A | 163 | 3.57 | H.Bond | A | 56-63 S: 1 | 62 | LEU | O | O4B | A | 163 | 3.71 | H.Bond | A | 56-63 S: 1 | 62 | LEU | O | C1B | A | 163 | 3.27 | van der Waals | A | 56-63 S: 1 | 62 | LEU | O | N3A | A | 163 | 3.81 | H.Bond | A | 56-63 S: 1 | 62 | LEU | CB | N3A | A | 163 | 3.93 | H.Bond | A | 56-63 S: 1 | 62 | LEU | CD2 | C2A | A | 163 | 3.83 | van der Waals | A | 56-63 S: 1 | 63 | THR | N | C2A | A | 163 | 3.99 | H.Bond | A | 56-63 S: 1 | 63 | THR | N | N3A | A | 163 | 3.39 | H.Bond | A | 56-63 S: 1 | 63 | THR | CA | O2B | A | 163 | 3.86 | van der Waals | A | 56-63 S: 1 | 63 | THR | CA | N3A | A | 163 | 3.63 | H.Bond | A | 56-63 S: 1 | 63 | THR | C | N3A | A | 163 | 3.43 | H.Bond | A | 56-63 S: 1 | 63 | THR | C | O2X | A | 163 | 3.65 | van der Waals | A | 56-63 S: 1 | 63 | THR | O | C2A | A | 163 | 3.87 | van der Waals | A | 56-63 S: 1 | 63 | THR | O | N3A | A | 163 | 3.65 | H.Bond | A | 56-63 S: 1 | 63 | THR | CB | O1X | A | 163 | 3.65 | van der Waals | A | 56-63 S: 1 | 63 | THR | OG1 | O2B | A | 163 | 3.97 | H.Bond | A | 56-63 S: 1 | 63 | THR | OG1 | P2B | A | 163 | 3.39 | | A | 56-63 S: 1 | 63 | THR | OG1 | O1X | A | 163 | 2.64 | H.Bond | A | 56-63 S: 1 | 63 | THR | OG1 | O2X | A | 163 | 3.64 | H.Bond | A | No SSE | 64 | HIS | N | N3A | A | 163 | 3.67 | H.Bond | A | No SSE | 64 | HIS | N | P2B | A | 163 | 3.79 | | A | No SSE | 64 | HIS | N | O2X | A | 163 | 2.8 | H.Bond | A | No SSE | 64 | HIS | CA | O2X | A | 163 | 3.61 | van der Waals | A | No SSE | 64 | HIS | CB | O2X | A | 163 | 3.26 | van der Waals | A | No SSE | 64 | HIS | CG | N3A | A | 163 | 3.91 | H.Bond | A | No SSE | 64 | HIS | CG | O2X | A | 163 | 3.69 | van der Waals | A | No SSE | 64 | HIS | ND1 | C2A | A | 163 | 3.65 | H.Bond | A | No SSE | 64 | HIS | ND1 | N3A | A | 163 | 3.75 | H.Bond | A | No SSE | 64 | HIS | CD2 | C2B | A | 163 | 3.95 | van der Waals | A | No SSE | 64 | HIS | CD2 | N3A | A | 163 | 3.85 | H.Bond | A | No SSE | 64 | HIS | CD2 | O2X | A | 163 | 3.22 | van der Waals | A | No SSE | 64 | HIS | CE1 | C5A | A | 163 | 3.77 | van der Waals | A | No SSE | 64 | HIS | CE1 | C6A | A | 163 | 3.67 | van der Waals | A | No SSE | 64 | HIS | CE1 | N1A | A | 163 | 3.46 | H.Bond | A | No SSE | 64 | HIS | CE1 | C2A | A | 163 | 3.49 | van der Waals | A | No SSE | 64 | HIS | CE1 | N3A | A | 163 | 3.66 | H.Bond | A | No SSE | 64 | HIS | CE1 | C4A | A | 163 | 3.89 | van der Waals | A | No SSE | 64 | HIS | NE2 | N9A | A | 163 | 3.97 | H.Bond | A | No SSE | 64 | HIS | NE2 | C5A | A | 163 | 3.58 | H.Bond | A | No SSE | 64 | HIS | NE2 | C2A | A | 163 | 3.86 | H.Bond | A | No SSE | 64 | HIS | NE2 | N3A | A | 163 | 3.56 | H.Bond | A | No SSE | 64 | HIS | NE2 | C4A | A | 163 | 3.53 | H.Bond | A | No SSE | 65 | GLN | N | O2X | A | 163 | 3.98 | H.Bond | A | No SSE | 65 | GLN | CG | O1X | A | 163 | 3.71 | van der Waals | A | No SSE | 65 | GLN | CD | O1X | A | 163 | 3.99 | van der Waals | A | No SSE | 65 | GLN | NE2 | P2B | A | 163 | 3.86 | | A | No SSE | 65 | GLN | NE2 | O1X | A | 163 | 2.84 | H.Bond | A | No SSE | 77 | HIS | C | C2A | A | 163 | 3.96 | van der Waals | A | No SSE | 77 | HIS | O | N1A | A | 163 | 3.68 | H.Bond | A | No SSE | 77 | HIS | O | C2A | A | 163 | 3.54 | van der Waals | A | 93-98 S: 1 | 97 | ALA | O | C4N | A | 163 | 3.25 | van der Waals | A | 93-98 S: 1 | 97 | ALA | O | C5N | A | 163 | 3.22 | van der Waals | A | 93-98 S: 1 | 98 | GLY | CA | C5N | A | 163 | 3.82 | van der Waals | A | 93-98 S: 1 | 98 | GLY | C | O2A | A | 163 | 3.91 | van der Waals | A | 99-107 H: 1 | 99 | GLY | N | PA | A | 163 | 3.48 | | A | 99-107 H: 1 | 99 | GLY | N | O1A | A | 163 | 3.08 | H.Bond | A | 99-107 H: 1 | 99 | GLY | N | O2A | A | 163 | 2.96 | H.Bond | A | 99-107 H: 1 | 99 | GLY | CA | PA | A | 163 | 3.99 | | A | 99-107 H: 1 | 99 | GLY | CA | O1A | A | 163 | 3.5 | van der Waals | A | 99-107 H: 1 | 99 | GLY | CA | O2A | A | 163 | 3.7 | van der Waals | A | 99-107 H: 1 | 99 | GLY | CA | O5D | A | 163 | 3.55 | van der Waals | A | 99-107 H: 1 | 99 | GLY | CA | C5N | A | 163 | 3.8 | van der Waals | A | 99-107 H: 1 | 99 | GLY | CA | C6N | A | 163 | 3.61 | van der Waals | A | 99-107 H: 1 | 99 | GLY | C | O1A | A | 163 | 3.32 | van der Waals | A | 99-107 H: 1 | 99 | GLY | C | O1N | A | 163 | 3.89 | van der Waals | A | 99-107 H: 1 | 99 | GLY | C | O5D | A | 163 | 3.96 | van der Waals | A | 99-107 H: 1 | 99 | GLY | O | O1A | A | 163 | 3.6 | H.Bond | A | 99-107 H: 1 | 100 | ALA | N | O1A | A | 163 | 3.83 | H.Bond | A | 99-107 H: 1 | 100 | ALA | N | O1N | A | 163 | 3.2 | H.Bond | A | 99-107 H: 1 | 100 | ALA | N | O5D | A | 163 | 3.61 | H.Bond | A | 99-107 H: 1 | 100 | ALA | CA | O1N | A | 163 | 3.58 | van der Waals | A | 99-107 H: 1 | 100 | ALA | C | O1N | A | 163 | 3.73 | van der Waals | A | 99-107 H: 1 | 100 | ALA | CB | O1N | A | 163 | 3.6 | van der Waals | A | 99-107 H: 1 | 101 | GLN | N | O1A | A | 163 | 3.36 | H.Bond | A | 99-107 H: 1 | 101 | GLN | N | O1N | A | 163 | 2.87 | H.Bond | A | 99-107 H: 1 | 101 | GLN | CA | O1A | A | 163 | 3.87 | van der Waals | A | 99-107 H: 1 | 101 | GLN | CA | O1N | A | 163 | 3.89 | van der Waals | A | 99-107 H: 1 | 101 | GLN | CB | O1A | A | 163 | 3.42 | van der Waals | A | 99-107 H: 1 | 101 | GLN | CB | C5B | A | 163 | 3.95 | van der Waals | A | 99-107 H: 1 | 101 | GLN | CB | C8A | A | 163 | 3.93 | van der Waals | A | 99-107 H: 1 | 101 | GLN | CB | O1N | A | 163 | 3.77 | van der Waals | A | 99-107 H: 1 | 101 | GLN | CG | O1N | A | 163 | 3.47 | van der Waals | A | 99-107 H: 1 | 101 | GLN | CD | C5B | A | 163 | 3.75 | van der Waals | A | 99-107 H: 1 | 101 | GLN | OE1 | C5B | A | 163 | 3.89 | van der Waals | A | 99-107 H: 1 | 101 | GLN | NE2 | C5B | A | 163 | 3.67 | H.Bond | A | 99-107 H: 1 | 101 | GLN | NE2 | C3B | A | 163 | 3.46 | H.Bond | A | 99-107 H: 1 | 101 | GLN | NE2 | C8A | A | 163 | 3.31 | H.Bond | A | 99-107 H: 1 | 101 | GLN | NE2 | N7A | A | 163 | 3.87 | H.Bond | A | 99-107 H: 1 | 102 | ILE | N | O1A | A | 163 | 3.25 | H.Bond | A | 99-107 H: 1 | 102 | ILE | CD1 | O1A | A | 163 | 3.98 | van der Waals | A | 99-107 H: 1 | 102 | ILE | CD1 | O4B | A | 163 | 3.8 | van der Waals | A | 99-107 H: 1 | 102 | ILE | CD1 | N9A | A | 163 | 3.88 | H.Bond | A | 99-107 H: 1 | 102 | ILE | CD1 | C8A | A | 163 | 3.54 | van der Waals | A | 99-107 H: 1 | 102 | ILE | CD1 | N7A | A | 163 | 3.68 | H.Bond | A | Water | 208 | HOH | O | C4D | A | 163 | 3.88 | van der Waals | A | Water | 208 | HOH | O | C3D | A | 163 | 3.56 | van der Waals | A | Water | 208 | HOH | O | O3D | A | 163 | 2.74 | H.Bond | A | Water | 266 | HOH | O | N6A | A | 163 | 3.35 | H.Bond | A | Water | 276 | HOH | O | PN | A | 163 | 3.37 | | A | Water | 276 | HOH | O | O1N | A | 163 | 2.65 | H.Bond | A | Water | 276 | HOH | O | O2N | A | 163 | 3.49 | H.Bond | A | Water | 279 | HOH | O | N7A | A | 163 | 3.09 | H.Bond | A | Water | 279 | HOH | O | N6A | A | 163 | 3.98 | H.Bond | A | Water | 283 | HOH | O | C3B | A | 163 | 3.86 | van der Waals | A | Water | 283 | HOH | O | C8A | A | 163 | 3.56 | van der Waals | A | Water | 283 | HOH | O | N7A | A | 163 | 3.89 | H.Bond | A | Water | 301 | HOH | O | PN | A | 163 | 3.92 | | A | Water | 301 | HOH | O | O2N | A | 163 | 3.03 | H.Bond | A | Water | 302 | HOH | O | O2N | A | 163 | 2.66 | H.Bond | A | Water | 302 | HOH | O | C5D | A | 163 | 3.84 | van der Waals | A | Water | 302 | HOH | O | C4D | A | 163 | 3.87 | van der Waals | A | Water | 318 | HOH | O | C6A | A | 163 | 3.57 | van der Waals | A | Water | 318 | HOH | O | N6A | A | 163 | 3.87 | H.Bond | A | Water | 318 | HOH | O | N1A | A | 163 | 2.95 | H.Bond | A | Water | 318 | HOH | O | C2A | A | 163 | 3.68 | van der Waals | A | Water | 326 | HOH | O | O3B | A | 163 | 3.98 | H.Bond | A | Water | 326 | HOH | O | C2B | A | 163 | 3.93 | van der Waals | A | Water | 326 | HOH | O | P2B | A | 163 | 3.77 | | A | Water | 326 | HOH | O | O2X | A | 163 | 2.99 | H.Bond | A | Water | 326 | HOH | O | O3X | A | 163 | 3.35 | H.Bond | A | Water | 373 | HOH | O | P2B | A | 163 | 3.55 | | A | Water | 373 | HOH | O | O2X | A | 163 | 2.6 | H.Bond | A | Water | 373 | HOH | O | O3X | A | 163 | 3.75 | H.Bond | A | Water | 401 | HOH | O | C3B | A | 163 | 3.75 | van der Waals | A | Water | 401 | HOH | O | O3B | A | 163 | 2.94 | H.Bond | A | Water | 439 | HOH | O | C2D | A | 163 | 3.06 | van der Waals | A | Water | 439 | HOH | O | O2D | A | 163 | 2.99 | H.Bond | A | Water | 439 | HOH | O | C1D | A | 163 | 3.94 | van der Waals | A | Water | 439 | HOH | O | N1N | A | 163 | 3.77 | H.Bond | A | Water | 439 | HOH | O | C6N | A | 163 | 3.38 | van der Waals | A | Water | 579 | HOH | O | N6A | A | 163 | 3.09 | H.Bond | |