There are 14 CoeSFMs: |
Nbr of Motifs per PDB entry | PDB Entry | Title | Determination Method | Resolution | R-Factor |
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4 | 1DLV | BIOSYNTHETIC THIOLASE FROM ZOOGLOEA RAMIGERA IN COMPLEX WITH COA | X-RAY | 2.29 | 0.242
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| Motif No./Chain | Motif | Bound Ligand /(Nbr. in PDB) | Show Details |
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| 1 / A |
> Structure: HHHLHLLLLLLLHHL
+10w
> Sequence: CLHMRSMLFAGSGLMFH
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COA /(1001) |
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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 | 87-89 H: 5 | 89 | CYS | SG | C3P | A | 1001 | 3.95 | van der Waals | A | 87-89 H: 5 | 89 | CYS | SG | S1P | A | 1001 | 3.88 | | A | 142-148 H: 1 | 148 | LEU | CD2 | C5P | A | 1001 | 3.78 | van der Waals | A | 142-148 H: 1 | 148 | LEU | CD2 | O5P | A | 1001 | 3.87 | van der Waals | A | 142-148 H: 1 | 148 | LEU | CD2 | N4P | A | 1001 | 3.52 | H.Bond | A | 142-148 H: 1 | 148 | LEU | CD2 | C3P | A | 1001 | 3.51 | van der Waals | A | 156-169 H: 1 | 156 | HIS | ND1 | O5P | A | 1001 | 3.84 | H.Bond | A | 156-169 H: 1 | 156 | HIS | CE1 | O9P | A | 1001 | 3.59 | van der Waals | A | 156-169 H: 1 | 156 | HIS | CE1 | C7P | A | 1001 | 3.95 | van der Waals | A | 156-169 H: 1 | 156 | HIS | CE1 | O5P | A | 1001 | 3.04 | van der Waals | A | 156-169 H: 1 | 156 | HIS | NE2 | O9P | A | 1001 | 3.36 | H.Bond | A | 156-169 H: 1 | 157 | MET | CB | O5P | A | 1001 | 3.51 | van der Waals | A | 156-169 H: 1 | 157 | MET | CB | S1P | A | 1001 | 3.97 | van der Waals | A | 156-169 H: 1 | 157 | MET | CG | S1P | A | 1001 | 3.72 | van der Waals | A | No SSE | 220 | ARG | CD | N6A | A | 1001 | 3.81 | H.Bond | A | No SSE | 220 | ARG | NE | N1A | A | 1001 | 3.89 | H.Bond | A | No SSE | 220 | ARG | NE | C5A | A | 1001 | 3.78 | H.Bond | A | No SSE | 220 | ARG | NE | C6A | A | 1001 | 3.57 | H.Bond | A | No SSE | 220 | ARG | NE | N6A | A | 1001 | 3.8 | H.Bond | A | No SSE | 220 | ARG | CZ | N1A | A | 1001 | 3.95 | H.Bond | A | No SSE | 220 | ARG | CZ | N3A | A | 1001 | 3.9 | H.Bond | A | No SSE | 220 | ARG | CZ | C4A | A | 1001 | 3.55 | van der Waals | A | No SSE | 220 | ARG | CZ | C5A | A | 1001 | 3.47 | van der Waals | A | No SSE | 220 | ARG | CZ | C6A | A | 1001 | 3.71 | van der Waals | A | No SSE | 220 | ARG | CZ | N7A | A | 1001 | 3.87 | H.Bond | A | No SSE | 220 | ARG | NH1 | C4A | A | 1001 | 3.64 | H.Bond | A | No SSE | 220 | ARG | NH1 | C5A | A | 1001 | 3.56 | H.Bond | A | No SSE | 220 | ARG | NH1 | N7A | A | 1001 | 3.52 | H.Bond | A | No SSE | 220 | ARG | NH1 | C8A | A | 1001 | 3.55 | H.Bond | A | No SSE | 220 | ARG | NH1 | N9A | A | 1001 | 3.67 | H.Bond | A | No SSE | 220 | ARG | NH1 | O2B | A | 1001 | 3.69 | H.Bond | A | No SSE | 220 | ARG | NH2 | N1A | A | 1001 | 3.81 | H.Bond | A | No SSE | 220 | ARG | NH2 | C2A | A | 1001 | 3.46 | H.Bond | A | No SSE | 220 | ARG | NH2 | N3A | A | 1001 | 3.34 | H.Bond | A | No SSE | 220 | ARG | NH2 | C4A | A | 1001 | 3.44 | H.Bond | A | No SSE | 220 | ARG | NH2 | C5A | A | 1001 | 3.8 | H.Bond | A | 224-230 H: 1 | 227 | SER | O | C2A | A | 1001 | 3.98 | van der Waals | A | 224-230 H: 1 | 227 | SER | OG | N1A | A | 1001 | 3.75 | H.Bond | A | 224-230 H: 1 | 227 | SER | OG | C2A | A | 1001 | 3.68 | van der Waals | A | 224-230 H: 1 | 228 | MET | SD | N6A | A | 1001 | 3.82 | | A | No SSE | 231 | LEU | CD1 | C4A | A | 1001 | 3.87 | van der Waals | A | No SSE | 231 | LEU | CD1 | C5A | A | 1001 | 3.92 | van der Waals | A | No SSE | 231 | LEU | CD2 | N3A | A | 1001 | 3.9 | H.Bond | A | No SSE | 231 | LEU | CD2 | O4B | A | 1001 | 3.43 | van der Waals | A | No SSE | 235 | PHE | CZ | CEP | A | 1001 | 3.81 | van der Waals | A | No SSE | 235 | PHE | CZ | O9P | A | 1001 | 3.74 | van der Waals | A | No SSE | 243 | ALA | CA | CEP | A | 1001 | 3.83 | van der Waals | A | No SSE | 243 | ALA | O | N7A | A | 1001 | 3.99 | H.Bond | A | No SSE | 243 | ALA | CB | C5B | A | 1001 | 3.29 | van der Waals | A | No SSE | 243 | ALA | CB | O5B | A | 1001 | 3.83 | van der Waals | A | No SSE | 243 | ALA | CB | CCP | A | 1001 | 3.84 | van der Waals | A | No SSE | 244 | GLY | N | N7A | A | 1001 | 3.99 | H.Bond | A | No SSE | 244 | GLY | CA | N7A | A | 1001 | 3.56 | H.Bond | A | No SSE | 247 | SER | O | N8P | A | 1001 | 3.12 | H.Bond | A | No SSE | 247 | SER | O | C7P | A | 1001 | 3.7 | van der Waals | A | No SSE | 247 | SER | O | C6P | A | 1001 | 3.72 | van der Waals | A | No SSE | 247 | SER | OG | C6P | A | 1001 | 3.34 | van der Waals | A | No SSE | 247 | SER | OG | C5P | A | 1001 | 3.9 | van der Waals | A | No SSE | 247 | SER | OG | N4P | A | 1001 | 3.72 | H.Bond | A | No SSE | 248 | GLY | O | C6P | A | 1001 | 3.95 | van der Waals | A | No SSE | 249 | LEU | CG | CAP | A | 1001 | 3.95 | van der Waals | A | No SSE | 249 | LEU | CG | OAP | A | 1001 | 3.84 | van der Waals | A | No SSE | 249 | LEU | CD2 | C9P | A | 1001 | 3.97 | van der Waals | A | 287-290 H: 5 | 288 | MET | CE | S1P | A | 1001 | 3.67 | van der Waals | A | 319-331 H: 1 | 319 | PHE | CE2 | C2P | A | 1001 | 3.91 | van der Waals | A | 319-331 H: 1 | 319 | PHE | CZ | C5P | A | 1001 | 3.99 | van der Waals | A | 319-331 H: 1 | 319 | PHE | CZ | O5P | A | 1001 | 3.41 | van der Waals | A | No SSE | 348 | HIS | CD2 | N4P | A | 1001 | 3.73 | H.Bond | A | No SSE | 348 | HIS | CD2 | C3P | A | 1001 | 3.78 | van der Waals | A | No SSE | 348 | HIS | CD2 | C2P | A | 1001 | 3.87 | van der Waals | A | No SSE | 348 | HIS | NE2 | C3P | A | 1001 | 3.86 | H.Bond | A | No SSE | 348 | HIS | NE2 | C2P | A | 1001 | 3.92 | H.Bond | A | Water | 5036 | HOH | O | CEP | A | 1001 | 3.62 | van der Waals | A | Water | 5036 | HOH | O | OAP | A | 1001 | 3.17 | H.Bond | A | Water | 5069 | HOH | O | C6P | A | 1001 | 3.79 | van der Waals | A | Water | 5069 | HOH | O | N4P | A | 1001 | 3.16 | H.Bond | A | Water | 5069 | HOH | O | C3P | A | 1001 | 3.89 | van der Waals | A | Water | 5092 | HOH | O | CDP | A | 1001 | 3.62 | van der Waals | A | Water | 5092 | HOH | O | C9P | A | 1001 | 3.71 | van der Waals | A | Water | 5092 | HOH | O | O9P | A | 1001 | 2.51 | H.Bond | A | Water | 5098 | HOH | O | N1A | A | 1001 | 2.49 | H.Bond | A | Water | 5098 | HOH | O | C2A | A | 1001 | 3.52 | van der Waals | A | Water | 5098 | HOH | O | C6A | A | 1001 | 3.2 | van der Waals | A | Water | 5098 | HOH | O | N6A | A | 1001 | 3.2 | H.Bond | A | Water | 5126 | HOH | O | C5A | A | 1001 | 3.88 | van der Waals | A | Water | 5126 | HOH | O | C6A | A | 1001 | 3.43 | van der Waals | A | Water | 5126 | HOH | O | N6A | A | 1001 | 2.32 | H.Bond | A | Water | 5126 | HOH | O | N7A | A | 1001 | 3.6 | H.Bond | A | Water | 5140 | HOH | O | OAP | A | 1001 | 3.75 | H.Bond | A | Water | 5167 | HOH | O | C5A | A | 1001 | 3.62 | van der Waals | A | Water | 5167 | HOH | O | N6A | A | 1001 | 3.8 | H.Bond | A | Water | 5167 | HOH | O | N7A | A | 1001 | 2.56 | H.Bond | A | Water | 5167 | HOH | O | C8A | A | 1001 | 3.36 | van der Waals | A | Water | 5170 | HOH | O | C8A | A | 1001 | 3.5 | van der Waals | A | Water | 5170 | HOH | O | C2B | A | 1001 | 3.81 | van der Waals | A | Water | 5170 | HOH | O | O2A | A | 1001 | 2.85 | H.Bond | A | Water | 5193 | HOH | O | N7A | A | 1001 | 3.55 | H.Bond | A | Water | 5229 | HOH | O | C2A | A | 1001 | 3.81 | van der Waals | A | Water | 5229 | HOH | O | N3A | A | 1001 | 3.13 | H.Bond | |
| 2 / B |
> Structure: HHLHLLLLLLLHHL
+8w
> Sequence: LHMRSMLFAGSGLMFH
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COA /(2001) |
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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 | 142-148 H: 1 | 148 | LEU | CD2 | C5P | B | 2001 | 3.69 | van der Waals | B | 142-148 H: 1 | 148 | LEU | CD2 | O5P | B | 2001 | 3.94 | van der Waals | B | 142-148 H: 1 | 148 | LEU | CD2 | N4P | B | 2001 | 3.37 | H.Bond | B | 142-148 H: 1 | 148 | LEU | CD2 | C3P | B | 2001 | 3.42 | van der Waals | B | 156-169 H: 1 | 156 | HIS | ND1 | O5P | B | 2001 | 3.8 | H.Bond | B | 156-169 H: 1 | 156 | HIS | CE1 | O9P | B | 2001 | 3.49 | van der Waals | B | 156-169 H: 1 | 156 | HIS | CE1 | C5P | B | 2001 | 3.78 | van der Waals | B | 156-169 H: 1 | 156 | HIS | CE1 | O5P | B | 2001 | 2.95 | van der Waals | B | 156-169 H: 1 | 156 | HIS | NE2 | O9P | B | 2001 | 3.25 | H.Bond | B | 156-169 H: 1 | 156 | HIS | NE2 | O5P | B | 2001 | 3.89 | H.Bond | B | 156-169 H: 1 | 157 | MET | CB | O5P | B | 2001 | 3.4 | van der Waals | B | 156-169 H: 1 | 157 | MET | CB | S1P | B | 2001 | 3.6 | van der Waals | B | 156-169 H: 1 | 157 | MET | CG | S1P | B | 2001 | 3.54 | van der Waals | B | No SSE | 220 | ARG | CD | C6A | B | 2001 | 3.93 | van der Waals | B | No SSE | 220 | ARG | CD | N6A | B | 2001 | 3.69 | H.Bond | B | No SSE | 220 | ARG | NE | N1A | B | 2001 | 3.71 | H.Bond | B | No SSE | 220 | ARG | NE | C5A | B | 2001 | 3.77 | H.Bond | B | No SSE | 220 | ARG | NE | C6A | B | 2001 | 3.45 | H.Bond | B | No SSE | 220 | ARG | NE | N6A | B | 2001 | 3.65 | H.Bond | B | No SSE | 220 | ARG | CZ | N1A | B | 2001 | 3.79 | H.Bond | B | No SSE | 220 | ARG | CZ | C2A | B | 2001 | 3.85 | van der Waals | B | No SSE | 220 | ARG | CZ | N3A | B | 2001 | 3.83 | H.Bond | B | No SSE | 220 | ARG | CZ | C4A | B | 2001 | 3.59 | van der Waals | B | No SSE | 220 | ARG | CZ | C5A | B | 2001 | 3.49 | van der Waals | B | No SSE | 220 | ARG | CZ | C6A | B | 2001 | 3.62 | van der Waals | B | No SSE | 220 | ARG | NH1 | C4A | B | 2001 | 3.66 | H.Bond | B | No SSE | 220 | ARG | NH1 | C5A | B | 2001 | 3.6 | H.Bond | B | No SSE | 220 | ARG | NH1 | N7A | B | 2001 | 3.71 | H.Bond | B | No SSE | 220 | ARG | NH1 | C8A | B | 2001 | 3.75 | H.Bond | B | No SSE | 220 | ARG | NH1 | N9A | B | 2001 | 3.76 | H.Bond | B | No SSE | 220 | ARG | NH1 | O2B | B | 2001 | 3.41 | H.Bond | B | No SSE | 220 | ARG | NH2 | N1A | B | 2001 | 3.64 | H.Bond | B | No SSE | 220 | ARG | NH2 | C2A | B | 2001 | 3.3 | H.Bond | B | No SSE | 220 | ARG | NH2 | N3A | B | 2001 | 3.27 | H.Bond | B | No SSE | 220 | ARG | NH2 | C4A | B | 2001 | 3.48 | H.Bond | B | No SSE | 220 | ARG | NH2 | C5A | B | 2001 | 3.83 | H.Bond | B | No SSE | 220 | ARG | NH2 | C6A | B | 2001 | 3.92 | H.Bond | B | No SSE | 220 | ARG | NH2 | O2B | B | 2001 | 3.83 | H.Bond | B | 224-230 H: 1 | 227 | SER | CB | C2A | B | 2001 | 3.91 | van der Waals | B | 224-230 H: 1 | 227 | SER | OG | N1A | B | 2001 | 3.52 | H.Bond | B | 224-230 H: 1 | 227 | SER | OG | C2A | B | 2001 | 3.69 | van der Waals | B | 224-230 H: 1 | 228 | MET | SD | N6A | B | 2001 | 3.87 | | B | 224-230 H: 1 | 228 | MET | CE | C6A | B | 2001 | 3.88 | van der Waals | B | 224-230 H: 1 | 228 | MET | CE | N6A | B | 2001 | 3.01 | H.Bond | B | No SSE | 231 | LEU | CD1 | C4A | B | 2001 | 3.83 | van der Waals | B | No SSE | 231 | LEU | CD1 | C5A | B | 2001 | 3.86 | van der Waals | B | No SSE | 231 | LEU | CD2 | N3A | B | 2001 | 3.93 | H.Bond | B | No SSE | 231 | LEU | CD2 | O4B | B | 2001 | 3.82 | van der Waals | B | No SSE | 235 | PHE | CE1 | CDP | B | 2001 | 3.78 | van der Waals | B | No SSE | 235 | PHE | CZ | CDP | B | 2001 | 3.56 | van der Waals | B | No SSE | 235 | PHE | CZ | CEP | B | 2001 | 3.8 | van der Waals | B | No SSE | 235 | PHE | CZ | O9P | B | 2001 | 3.85 | van der Waals | B | No SSE | 243 | ALA | CA | CEP | B | 2001 | 3.76 | van der Waals | B | No SSE | 243 | ALA | O | N7A | B | 2001 | 3.97 | H.Bond | B | No SSE | 243 | ALA | CB | O4B | B | 2001 | 3.94 | van der Waals | B | No SSE | 243 | ALA | CB | O5B | B | 2001 | 3.38 | van der Waals | B | No SSE | 243 | ALA | CB | CCP | B | 2001 | 3.91 | van der Waals | B | No SSE | 244 | GLY | N | N7A | B | 2001 | 3.8 | H.Bond | B | No SSE | 244 | GLY | CA | C5A | B | 2001 | 3.91 | van der Waals | B | No SSE | 244 | GLY | CA | N6A | B | 2001 | 3.99 | H.Bond | B | No SSE | 244 | GLY | CA | N7A | B | 2001 | 3.37 | H.Bond | B | No SSE | 247 | SER | C | N8P | B | 2001 | 3.91 | H.Bond | B | No SSE | 247 | SER | C | C7P | B | 2001 | 3.61 | van der Waals | B | No SSE | 247 | SER | O | OAP | B | 2001 | 3.38 | H.Bond | B | No SSE | 247 | SER | O | N8P | B | 2001 | 2.88 | H.Bond | B | No SSE | 247 | SER | O | C7P | B | 2001 | 2.82 | van der Waals | B | No SSE | 247 | SER | OG | C7P | B | 2001 | 3.31 | van der Waals | B | No SSE | 247 | SER | OG | C6P | B | 2001 | 3.82 | van der Waals | B | No SSE | 247 | SER | OG | N4P | B | 2001 | 3.82 | H.Bond | B | No SSE | 248 | GLY | CA | OAP | B | 2001 | 3.76 | van der Waals | B | No SSE | 249 | LEU | CG | OAP | B | 2001 | 3.94 | van der Waals | B | No SSE | 249 | LEU | CD2 | C9P | B | 2001 | 3.97 | van der Waals | B | 287-290 H: 5 | 288 | MET | CE | S1P | B | 2001 | 3.61 | van der Waals | B | 319-331 H: 1 | 319 | PHE | CE2 | O5P | B | 2001 | 3.81 | van der Waals | B | 319-331 H: 1 | 319 | PHE | CE2 | C2P | B | 2001 | 3.7 | van der Waals | B | 319-331 H: 1 | 319 | PHE | CE2 | S1P | B | 2001 | 3.9 | van der Waals | B | 319-331 H: 1 | 319 | PHE | CZ | C5P | B | 2001 | 3.87 | van der Waals | B | 319-331 H: 1 | 319 | PHE | CZ | O5P | B | 2001 | 3.17 | van der Waals | B | No SSE | 348 | HIS | CD2 | N4P | B | 2001 | 3.95 | H.Bond | B | No SSE | 348 | HIS | CD2 | C3P | B | 2001 | 3.78 | van der Waals | B | No SSE | 348 | HIS | CD2 | C2P | B | 2001 | 3.74 | van der Waals | B | No SSE | 348 | HIS | NE2 | C2P | B | 2001 | 3.89 | H.Bond | B | Water | 5023 | HOH | O | N1A | B | 2001 | 2.93 | H.Bond | B | Water | 5023 | HOH | O | C6A | B | 2001 | 3.38 | van der Waals | B | Water | 5023 | HOH | O | N6A | B | 2001 | 3.11 | H.Bond | B | Water | 5051 | HOH | O | CDP | B | 2001 | 3.67 | van der Waals | B | Water | 5051 | HOH | O | C9P | B | 2001 | 3.78 | van der Waals | B | Water | 5051 | HOH | O | O9P | B | 2001 | 2.7 | H.Bond | B | Water | 5056 | HOH | O | C2A | B | 2001 | 3.33 | van der Waals | B | Water | 5056 | HOH | O | N3A | B | 2001 | 2.69 | H.Bond | B | Water | 5056 | HOH | O | C4A | B | 2001 | 3.79 | van der Waals | B | Water | 5056 | HOH | O | C1B | B | 2001 | 3.91 | van der Waals | B | Water | 5074 | HOH | O | C6P | B | 2001 | 3.92 | van der Waals | B | Water | 5074 | HOH | O | N4P | B | 2001 | 3.24 | H.Bond | B | Water | 5090 | HOH | O | CEP | B | 2001 | 3.55 | van der Waals | B | Water | 5090 | HOH | O | OAP | B | 2001 | 2.9 | H.Bond | B | Water | 5182 | HOH | O | N7A | B | 2001 | 3.91 | H.Bond | B | Water | 5214 | HOH | O | C6A | B | 2001 | 3.84 | van der Waals | B | Water | 5214 | HOH | O | N6A | B | 2001 | 2.82 | H.Bond | B | Water | 5214 | HOH | O | N7A | B | 2001 | 3.6 | H.Bond | B | Water | 5253 | HOH | O | OAP | B | 2001 | 3.7 | H.Bond | |
| 3 / C |
> Structure: HLHLHLLLLLLHLHL
+2w
> Sequence: CLHMRSMLFAGSGLMAFH
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COA /(3001) |
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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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C | 87-89 H: 5 | 89 | CYS | SG | C2P | C | 3001 | 3.9 | van der Waals | C | No SSE | 148 | LEU | CD2 | C5P | C | 3001 | 3.71 | van der Waals | C | No SSE | 148 | LEU | CD2 | O5P | C | 3001 | 3.73 | van der Waals | C | No SSE | 148 | LEU | CD2 | N4P | C | 3001 | 3.51 | H.Bond | C | No SSE | 148 | LEU | CD2 | C3P | C | 3001 | 3.35 | van der Waals | C | 156-169 H: 1 | 156 | HIS | ND1 | O5P | C | 3001 | 3.88 | H.Bond | C | 156-169 H: 1 | 156 | HIS | CE1 | O9P | C | 3001 | 3.25 | van der Waals | C | 156-169 H: 1 | 156 | HIS | CE1 | C6P | C | 3001 | 3.67 | van der Waals | C | 156-169 H: 1 | 156 | HIS | CE1 | C5P | C | 3001 | 3.8 | van der Waals | C | 156-169 H: 1 | 156 | HIS | CE1 | O5P | C | 3001 | 3.17 | van der Waals | C | 156-169 H: 1 | 156 | HIS | NE2 | O9P | C | 3001 | 2.95 | H.Bond | C | 156-169 H: 1 | 157 | MET | CB | O5P | C | 3001 | 3.06 | van der Waals | C | 156-169 H: 1 | 157 | MET | CB | S1P | C | 3001 | 3.74 | van der Waals | C | 156-169 H: 1 | 157 | MET | CG | O5P | C | 3001 | 3.55 | van der Waals | C | 156-169 H: 1 | 157 | MET | CG | S1P | C | 3001 | 3.48 | van der Waals | C | No SSE | 220 | ARG | CD | C5A | C | 3001 | 3.95 | van der Waals | C | No SSE | 220 | ARG | CD | C6A | C | 3001 | 3.54 | van der Waals | C | No SSE | 220 | ARG | CD | N6A | C | 3001 | 3.27 | H.Bond | C | No SSE | 220 | ARG | NE | N1A | C | 3001 | 3.4 | H.Bond | C | No SSE | 220 | ARG | NE | C2A | C | 3001 | 3.95 | H.Bond | C | No SSE | 220 | ARG | NE | C5A | C | 3001 | 3.64 | H.Bond | C | No SSE | 220 | ARG | NE | C6A | C | 3001 | 3.19 | H.Bond | C | No SSE | 220 | ARG | NE | N6A | C | 3001 | 3.4 | H.Bond | C | No SSE | 220 | ARG | CZ | N1A | C | 3001 | 3.59 | H.Bond | C | No SSE | 220 | ARG | CZ | C2A | C | 3001 | 3.69 | van der Waals | C | No SSE | 220 | ARG | CZ | N3A | C | 3001 | 3.75 | H.Bond | C | No SSE | 220 | ARG | CZ | C4A | C | 3001 | 3.56 | van der Waals | C | No SSE | 220 | ARG | CZ | C5A | C | 3001 | 3.43 | van der Waals | C | No SSE | 220 | ARG | CZ | C6A | C | 3001 | 3.46 | van der Waals | C | No SSE | 220 | ARG | NH1 | C4A | C | 3001 | 3.6 | H.Bond | C | No SSE | 220 | ARG | NH1 | C5A | C | 3001 | 3.5 | H.Bond | C | No SSE | 220 | ARG | NH1 | N7A | C | 3001 | 3.7 | H.Bond | C | No SSE | 220 | ARG | NH1 | C8A | C | 3001 | 3.84 | H.Bond | C | No SSE | 220 | ARG | NH1 | N9A | C | 3001 | 3.83 | H.Bond | C | No SSE | 220 | ARG | NH1 | O2B | C | 3001 | 3.62 | H.Bond | C | No SSE | 220 | ARG | NH2 | N1A | C | 3001 | 3.57 | H.Bond | C | No SSE | 220 | ARG | NH2 | C2A | C | 3001 | 3.24 | H.Bond | C | No SSE | 220 | ARG | NH2 | N3A | C | 3001 | 3.29 | H.Bond | C | No SSE | 220 | ARG | NH2 | C4A | C | 3001 | 3.57 | H.Bond | C | No SSE | 220 | ARG | NH2 | C5A | C | 3001 | 3.89 | H.Bond | C | No SSE | 220 | ARG | NH2 | C6A | C | 3001 | 3.89 | H.Bond | C | 224-231 H: 1 | 227 | SER | OG | N1A | C | 3001 | 3.65 | H.Bond | C | 224-231 H: 1 | 227 | SER | OG | C2A | C | 3001 | 3.77 | van der Waals | C | 224-231 H: 1 | 228 | MET | CE | N6A | C | 3001 | 3.26 | H.Bond | C | 224-231 H: 1 | 231 | LEU | CD1 | C4A | C | 3001 | 3.97 | van der Waals | C | No SSE | 235 | PHE | CE1 | CDP | C | 3001 | 3.83 | van der Waals | C | No SSE | 235 | PHE | CZ | CDP | C | 3001 | 3.59 | van der Waals | C | No SSE | 235 | PHE | CZ | CEP | C | 3001 | 3.76 | van der Waals | C | No SSE | 235 | PHE | CZ | O9P | C | 3001 | 3.99 | van der Waals | C | No SSE | 243 | ALA | CA | CEP | C | 3001 | 3.8 | van der Waals | C | No SSE | 243 | ALA | O | N7A | C | 3001 | 3.91 | H.Bond | C | No SSE | 243 | ALA | CB | O5B | C | 3001 | 3.49 | van der Waals | C | No SSE | 243 | ALA | CB | CCP | C | 3001 | 3.93 | van der Waals | C | No SSE | 244 | GLY | N | N7A | C | 3001 | 3.87 | H.Bond | C | No SSE | 244 | GLY | CA | N7A | C | 3001 | 3.59 | H.Bond | C | No SSE | 247 | SER | C | C7P | C | 3001 | 3.9 | van der Waals | C | No SSE | 247 | SER | O | OAP | C | 3001 | 3.45 | H.Bond | C | No SSE | 247 | SER | O | N8P | C | 3001 | 3.14 | H.Bond | C | No SSE | 247 | SER | O | C7P | C | 3001 | 3.2 | van der Waals | C | No SSE | 247 | SER | OG | C7P | C | 3001 | 3.79 | van der Waals | C | No SSE | 247 | SER | OG | N4P | C | 3001 | 3.74 | H.Bond | C | No SSE | 248 | GLY | CA | OAP | C | 3001 | 3.74 | van der Waals | C | No SSE | 248 | GLY | O | C7P | C | 3001 | 3.86 | van der Waals | C | No SSE | 249 | LEU | CG | OAP | C | 3001 | 3.92 | van der Waals | C | No SSE | 249 | LEU | CD2 | C9P | C | 3001 | 3.8 | van der Waals | C | No SSE | 249 | LEU | CD2 | O9P | C | 3001 | 3.98 | van der Waals | C | No SSE | 249 | LEU | CD2 | N8P | C | 3001 | 3.78 | H.Bond | C | 287-290 H: 5 | 288 | MET | CE | S1P | C | 3001 | 3.58 | van der Waals | C | No SSE | 318 | ALA | CB | C2P | C | 3001 | 3.9 | van der Waals | C | No SSE | 318 | ALA | CB | S1P | C | 3001 | 3.95 | van der Waals | C | 319-331 H: 1 | 319 | PHE | CE1 | C6P | C | 3001 | 3.8 | van der Waals | C | 319-331 H: 1 | 319 | PHE | CE2 | O5P | C | 3001 | 3.68 | van der Waals | C | 319-331 H: 1 | 319 | PHE | CE2 | S1P | C | 3001 | 3.82 | van der Waals | C | 319-331 H: 1 | 319 | PHE | CZ | C6P | C | 3001 | 3.52 | van der Waals | C | 319-331 H: 1 | 319 | PHE | CZ | C5P | C | 3001 | 3.46 | van der Waals | C | 319-331 H: 1 | 319 | PHE | CZ | O5P | C | 3001 | 3.1 | van der Waals | C | No SSE | 348 | HIS | CD2 | N4P | C | 3001 | 3.9 | H.Bond | C | No SSE | 348 | HIS | CD2 | C3P | C | 3001 | 3.76 | van der Waals | C | No SSE | 348 | HIS | CD2 | C2P | C | 3001 | 3.53 | van der Waals | C | No SSE | 348 | HIS | NE2 | C3P | C | 3001 | 3.82 | H.Bond | C | No SSE | 348 | HIS | NE2 | C2P | C | 3001 | 3.39 | H.Bond | C | Water | 3034 | HOH | O | N7A | C | 3001 | 3.51 | H.Bond | C | Water | 3045 | HOH | O | N4P | C | 3001 | 3.83 | H.Bond | |
| 4 / D |
> Structure: HHLHLLLLLLHHL
+1w
> Sequence: LHMRSMLFAGSLMFH
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COA /(4001) |
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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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D | 142-148 H: 1 | 148 | LEU | CD2 | O5P | D | 4001 | 3.94 | van der Waals | D | 142-148 H: 1 | 148 | LEU | CD2 | N4P | D | 4001 | 3.79 | H.Bond | D | 142-148 H: 1 | 148 | LEU | CD2 | C3P | D | 4001 | 3.41 | van der Waals | D | 156-169 H: 1 | 156 | HIS | ND1 | O5P | D | 4001 | 3.76 | H.Bond | D | 156-169 H: 1 | 156 | HIS | CE1 | O9P | D | 4001 | 3.44 | van der Waals | D | 156-169 H: 1 | 156 | HIS | CE1 | C6P | D | 4001 | 3.97 | van der Waals | D | 156-169 H: 1 | 156 | HIS | CE1 | C5P | D | 4001 | 3.84 | van der Waals | D | 156-169 H: 1 | 156 | HIS | CE1 | O5P | D | 4001 | 3 | van der Waals | D | 156-169 H: 1 | 156 | HIS | NE2 | O9P | D | 4001 | 3.14 | H.Bond | D | 156-169 H: 1 | 156 | HIS | NE2 | O5P | D | 4001 | 3.96 | H.Bond | D | 156-169 H: 1 | 157 | MET | CB | O5P | D | 4001 | 3.35 | van der Waals | D | 156-169 H: 1 | 157 | MET | CB | S1P | D | 4001 | 3.72 | van der Waals | D | 156-169 H: 1 | 157 | MET | CG | O5P | D | 4001 | 3.88 | van der Waals | D | 156-169 H: 1 | 157 | MET | CG | S1P | D | 4001 | 3.52 | van der Waals | D | No SSE | 220 | ARG | CD | C6A | D | 4001 | 3.85 | van der Waals | D | No SSE | 220 | ARG | CD | N6A | D | 4001 | 3.42 | H.Bond | D | No SSE | 220 | ARG | NE | N1A | D | 4001 | 3.64 | H.Bond | D | No SSE | 220 | ARG | NE | C5A | D | 4001 | 3.8 | H.Bond | D | No SSE | 220 | ARG | NE | C6A | D | 4001 | 3.3 | H.Bond | D | No SSE | 220 | ARG | NE | N6A | D | 4001 | 3.32 | H.Bond | D | No SSE | 220 | ARG | CZ | N1A | D | 4001 | 3.57 | H.Bond | D | No SSE | 220 | ARG | CZ | C2A | D | 4001 | 3.86 | van der Waals | D | No SSE | 220 | ARG | CZ | N3A | D | 4001 | 3.97 | H.Bond | D | No SSE | 220 | ARG | CZ | C4A | D | 4001 | 3.65 | van der Waals | D | No SSE | 220 | ARG | CZ | C5A | D | 4001 | 3.34 | van der Waals | D | No SSE | 220 | ARG | CZ | C6A | D | 4001 | 3.3 | van der Waals | D | No SSE | 220 | ARG | CZ | N6A | D | 4001 | 3.76 | H.Bond | D | No SSE | 220 | ARG | CZ | N7A | D | 4001 | 3.88 | H.Bond | D | No SSE | 220 | ARG | NH1 | C4A | D | 4001 | 3.61 | H.Bond | D | No SSE | 220 | ARG | NH1 | C5A | D | 4001 | 3.3 | H.Bond | D | No SSE | 220 | ARG | NH1 | C6A | D | 4001 | 3.77 | H.Bond | D | No SSE | 220 | ARG | NH1 | N7A | D | 4001 | 3.39 | H.Bond | D | No SSE | 220 | ARG | NH1 | C8A | D | 4001 | 3.69 | H.Bond | D | No SSE | 220 | ARG | NH1 | N9A | D | 4001 | 3.85 | H.Bond | D | No SSE | 220 | ARG | NH1 | O2B | D | 4001 | 3.97 | H.Bond | D | No SSE | 220 | ARG | NH2 | N1A | D | 4001 | 3.37 | H.Bond | D | No SSE | 220 | ARG | NH2 | C2A | D | 4001 | 3.26 | H.Bond | D | No SSE | 220 | ARG | NH2 | N3A | D | 4001 | 3.38 | H.Bond | D | No SSE | 220 | ARG | NH2 | C4A | D | 4001 | 3.51 | H.Bond | D | No SSE | 220 | ARG | NH2 | C5A | D | 4001 | 3.65 | H.Bond | D | No SSE | 220 | ARG | NH2 | C6A | D | 4001 | 3.59 | H.Bond | D | 224-230 H: 1 | 227 | SER | CB | C2A | D | 4001 | 3.91 | van der Waals | D | 224-230 H: 1 | 227 | SER | OG | N1A | D | 4001 | 3.51 | H.Bond | D | 224-230 H: 1 | 227 | SER | OG | C2A | D | 4001 | 3.86 | van der Waals | D | 224-230 H: 1 | 228 | MET | SD | N6A | D | 4001 | 3.91 | | D | 224-230 H: 1 | 228 | MET | CE | N6A | D | 4001 | 3.39 | H.Bond | D | No SSE | 231 | LEU | CD1 | C4A | D | 4001 | 3.87 | van der Waals | D | No SSE | 231 | LEU | CD1 | C5A | D | 4001 | 3.8 | van der Waals | D | No SSE | 231 | LEU | CD2 | N3A | D | 4001 | 3.68 | H.Bond | D | No SSE | 231 | LEU | CD2 | C4A | D | 4001 | 3.97 | van der Waals | D | No SSE | 235 | PHE | CE1 | CDP | D | 4001 | 3.89 | van der Waals | D | No SSE | 235 | PHE | CZ | CDP | D | 4001 | 3.72 | van der Waals | D | No SSE | 235 | PHE | CZ | O9P | D | 4001 | 3.83 | van der Waals | D | No SSE | 243 | ALA | CA | CEP | D | 4001 | 3.61 | van der Waals | D | No SSE | 243 | ALA | CB | O5B | D | 4001 | 3.95 | van der Waals | D | No SSE | 243 | ALA | CB | CCP | D | 4001 | 3.93 | van der Waals | D | No SSE | 243 | ALA | CB | CEP | D | 4001 | 3.91 | van der Waals | D | No SSE | 244 | GLY | N | N7A | D | 4001 | 3.91 | H.Bond | D | No SSE | 244 | GLY | CA | N6A | D | 4001 | 3.96 | H.Bond | D | No SSE | 244 | GLY | CA | N7A | D | 4001 | 3.68 | H.Bond | D | No SSE | 247 | SER | C | C7P | D | 4001 | 3.78 | van der Waals | D | No SSE | 247 | SER | O | OAP | D | 4001 | 3.48 | H.Bond | D | No SSE | 247 | SER | O | N8P | D | 4001 | 3.08 | H.Bond | D | No SSE | 247 | SER | O | C7P | D | 4001 | 3.02 | van der Waals | D | No SSE | 247 | SER | O | C6P | D | 4001 | 3.72 | van der Waals | D | No SSE | 247 | SER | OG | C6P | D | 4001 | 3.98 | van der Waals | D | No SSE | 247 | SER | OG | N4P | D | 4001 | 3.51 | H.Bond | D | No SSE | 249 | LEU | CD2 | C9P | D | 4001 | 3.92 | van der Waals | D | No SSE | 249 | LEU | CD2 | N8P | D | 4001 | 3.81 | H.Bond | D | No SSE | 249 | LEU | CD2 | C7P | D | 4001 | 3.9 | van der Waals | D | 287-290 H: 5 | 288 | MET | CE | S1P | D | 4001 | 3.64 | van der Waals | D | 319-331 H: 1 | 319 | PHE | CE1 | O5P | D | 4001 | 3.72 | van der Waals | D | 319-331 H: 1 | 319 | PHE | CE1 | S1P | D | 4001 | 3.96 | van der Waals | D | 319-331 H: 1 | 319 | PHE | CE2 | C6P | D | 4001 | 3.95 | van der Waals | D | 319-331 H: 1 | 319 | PHE | CZ | C6P | D | 4001 | 3.59 | van der Waals | D | 319-331 H: 1 | 319 | PHE | CZ | C5P | D | 4001 | 3.52 | van der Waals | D | 319-331 H: 1 | 319 | PHE | CZ | O5P | D | 4001 | 3.15 | van der Waals | D | No SSE | 348 | HIS | CD2 | N4P | D | 4001 | 3.85 | H.Bond | D | No SSE | 348 | HIS | CD2 | C3P | D | 4001 | 3.7 | van der Waals | D | No SSE | 348 | HIS | CD2 | C2P | D | 4001 | 3.42 | van der Waals | D | No SSE | 348 | HIS | NE2 | C3P | D | 4001 | 3.99 | H.Bond | D | No SSE | 348 | HIS | NE2 | C2P | D | 4001 | 3.46 | H.Bond | D | Water | 4039 | HOH | O | C5P | D | 4001 | 3.82 | van der Waals | D | Water | 4039 | HOH | O | N4P | D | 4001 | 2.65 | H.Bond | D | Water | 4039 | HOH | O | C3P | D | 4001 | 2.79 | van der Waals | D | Water | 4039 | HOH | O | C2P | D | 4001 | 3.75 | van der Waals | |
Nbr of Motifs per PDB entry | PDB Entry | Title | Determination Method | Resolution | R-Factor |
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4 | 1DQ8 | COMPLEX OF THE CATALYTIC PORTION OF HUMAN HMG-COA REDUCTASE WITH HMG AND COA | X-RAY | 2.10 | 0.199
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| Motif No./Chain | Motif | Bound Ligand /(Nbr. in PDB) | Show Details |
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| 1 / A |
> Structure: LLHHLHHL
+1w
> Sequence: EGCLASNRRVKHNSLAL
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COA /(100) |
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> Graphics rep1:
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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 | 559 | GLU | CD | S1P | A | 100 | 3.82 | van der Waals | A | No SSE | 559 | GLU | OE2 | S1P | A | 100 | 3.68 | | A | No SSE | 560 | GLY | O | S1P | A | 100 | 3.47 | | A | 561-575 H: 1 | 561 | CYS | C | S1P | A | 100 | 3.76 | van der Waals | A | 561-575 H: 1 | 562 | LEU | N | S1P | A | 100 | 3.38 | | A | 561-575 H: 1 | 562 | LEU | CA | S1P | A | 100 | 3.56 | van der Waals | A | 561-575 H: 1 | 562 | LEU | CB | S1P | A | 100 | 3.88 | van der Waals | A | 561-575 H: 1 | 564 | ALA | CA | N1A | A | 100 | 3.89 | H.Bond | A | 561-575 H: 1 | 564 | ALA | CA | C2A | A | 100 | 3.61 | van der Waals | A | 561-575 H: 1 | 564 | ALA | CA | N3A | A | 100 | 3.63 | H.Bond | A | 561-575 H: 1 | 564 | ALA | CA | C4A | A | 100 | 3.93 | van der Waals | A | 561-575 H: 1 | 564 | ALA | C | CEP | A | 100 | 3.74 | van der Waals | A | 561-575 H: 1 | 564 | ALA | O | N3A | A | 100 | 3.74 | H.Bond | A | 561-575 H: 1 | 564 | ALA | O | C4A | A | 100 | 3.81 | van der Waals | A | 561-575 H: 1 | 564 | ALA | O | N9A | A | 100 | 3.88 | H.Bond | A | 561-575 H: 1 | 564 | ALA | O | C1B | A | 100 | 3.85 | van der Waals | A | 561-575 H: 1 | 564 | ALA | O | CEP | A | 100 | 3.65 | van der Waals | A | 561-575 H: 1 | 564 | ALA | CB | N1A | A | 100 | 3.75 | H.Bond | A | 561-575 H: 1 | 564 | ALA | CB | C2A | A | 100 | 3.95 | van der Waals | A | 561-575 H: 1 | 564 | ALA | CB | C4A | A | 100 | 3.93 | van der Waals | A | 561-575 H: 1 | 564 | ALA | CB | C5A | A | 100 | 3.68 | van der Waals | A | 561-575 H: 1 | 564 | ALA | CB | C6A | A | 100 | 3.6 | van der Waals | A | 561-575 H: 1 | 565 | SER | N | CEP | A | 100 | 3.85 | H.Bond | A | 561-575 H: 1 | 565 | SER | CA | CEP | A | 100 | 3.87 | van der Waals | A | 561-575 H: 1 | 565 | SER | CA | O9P | A | 100 | 3.38 | van der Waals | A | 561-575 H: 1 | 565 | SER | CB | O9P | A | 100 | 3.12 | van der Waals | A | 561-575 H: 1 | 565 | SER | CB | C6P | A | 100 | 3.52 | van der Waals | A | 561-575 H: 1 | 565 | SER | CB | C5P | A | 100 | 3.86 | van der Waals | A | 561-575 H: 1 | 565 | SER | CB | O5P | A | 100 | 3.42 | van der Waals | A | 561-575 H: 1 | 565 | SER | OG | O9P | A | 100 | 3.08 | H.Bond | A | 561-575 H: 1 | 565 | SER | OG | C7P | A | 100 | 3.86 | van der Waals | A | 561-575 H: 1 | 565 | SER | OG | C6P | A | 100 | 3.61 | van der Waals | A | 561-575 H: 1 | 565 | SER | OG | C5P | A | 100 | 3.64 | van der Waals | A | 561-575 H: 1 | 565 | SER | OG | O5P | A | 100 | 2.86 | H.Bond | A | 561-575 H: 1 | 567 | ASN | C | O2B | A | 100 | 3.48 | van der Waals | A | 561-575 H: 1 | 567 | ASN | O | O2B | A | 100 | 3.26 | H.Bond | A | 561-575 H: 1 | 567 | ASN | CB | N3A | A | 100 | 3.58 | H.Bond | A | 561-575 H: 1 | 567 | ASN | CG | N3A | A | 100 | 3.65 | H.Bond | A | 561-575 H: 1 | 567 | ASN | CG | O2B | A | 100 | 3.65 | van der Waals | A | 561-575 H: 1 | 567 | ASN | OD1 | C2A | A | 100 | 3.62 | van der Waals | A | 561-575 H: 1 | 567 | ASN | OD1 | N3A | A | 100 | 2.96 | H.Bond | A | 561-575 H: 1 | 567 | ASN | OD1 | C2B | A | 100 | 3.82 | van der Waals | A | 561-575 H: 1 | 567 | ASN | OD1 | O2B | A | 100 | 3.05 | H.Bond | A | 561-575 H: 1 | 568 | ARG | N | C1B | A | 100 | 3.92 | H.Bond | A | 561-575 H: 1 | 568 | ARG | N | O2B | A | 100 | 3.64 | H.Bond | A | 561-575 H: 1 | 568 | ARG | CA | C1B | A | 100 | 3.68 | van der Waals | A | 561-575 H: 1 | 568 | ARG | CA | O2B | A | 100 | 3.55 | van der Waals | A | 561-575 H: 1 | 568 | ARG | CA | O4B | A | 100 | 3.83 | van der Waals | A | 561-575 H: 1 | 568 | ARG | CB | C1B | A | 100 | 3.54 | van der Waals | A | 561-575 H: 1 | 568 | ARG | CB | C4B | A | 100 | 3.82 | van der Waals | A | 561-575 H: 1 | 568 | ARG | CB | O4B | A | 100 | 3.28 | van der Waals | A | 561-575 H: 1 | 568 | ARG | CG | C4B | A | 100 | 3.45 | van der Waals | A | 561-575 H: 1 | 568 | ARG | CG | O4B | A | 100 | 3.29 | van der Waals | A | 561-575 H: 1 | 568 | ARG | CD | CEP | A | 100 | 3.97 | van der Waals | A | 561-575 H: 1 | 568 | ARG | CD | O9P | A | 100 | 3.97 | van der Waals | A | 561-575 H: 1 | 568 | ARG | NE | O4A | A | 100 | 3.23 | H.Bond | A | 561-575 H: 1 | 568 | ARG | NE | O6A | A | 100 | 3.54 | H.Bond | A | 561-575 H: 1 | 568 | ARG | CZ | O4A | A | 100 | 3.64 | van der Waals | A | 561-575 H: 1 | 568 | ARG | CZ | O6A | A | 100 | 3.69 | van der Waals | A | 561-575 H: 1 | 568 | ARG | CZ | CAP | A | 100 | 3.9 | van der Waals | A | 561-575 H: 1 | 568 | ARG | NH1 | CAP | A | 100 | 3.71 | H.Bond | A | 561-575 H: 1 | 568 | ARG | NH1 | C9P | A | 100 | 3.7 | H.Bond | A | 561-575 H: 1 | 568 | ARG | NH1 | O9P | A | 100 | 3.5 | H.Bond | A | 561-575 H: 1 | 568 | ARG | NH2 | P2A | A | 100 | 3.99 | | A | 561-575 H: 1 | 568 | ARG | NH2 | O4A | A | 100 | 3.25 | H.Bond | A | 561-575 H: 1 | 568 | ARG | NH2 | O6A | A | 100 | 3.72 | H.Bond | A | 561-575 H: 1 | 571 | ARG | CB | O2B | A | 100 | 3.88 | van der Waals | A | 561-575 H: 1 | 571 | ARG | CG | O9A | A | 100 | 3.62 | van der Waals | A | 561-575 H: 1 | 571 | ARG | CD | O9A | A | 100 | 3.44 | van der Waals | A | 561-575 H: 1 | 571 | ARG | NE | O9A | A | 100 | 2.93 | H.Bond | A | 561-575 H: 1 | 571 | ARG | CZ | O9A | A | 100 | 3.79 | van der Waals | A | 713-720 H: 1 | 720 | VAL | O | O4A | A | 100 | 3.25 | H.Bond | A | No SSE | 722 | LYS | CG | O4A | A | 100 | 3.75 | van der Waals | A | No SSE | 722 | LYS | CE | O1A | A | 100 | 3.35 | van der Waals | A | No SSE | 722 | LYS | CE | O4A | A | 100 | 3.42 | van der Waals | A | No SSE | 722 | LYS | NZ | O1A | A | 100 | 2.88 | H.Bond | A | No SSE | 722 | LYS | NZ | O4A | A | 100 | 2.72 | H.Bond | A | 752-764 H: 1 | 752 | HIS | ND1 | C2P | A | 100 | 3.64 | H.Bond | A | 752-764 H: 1 | 752 | HIS | CE1 | O5P | A | 100 | 3.65 | van der Waals | A | 752-764 H: 1 | 752 | HIS | CE1 | C2P | A | 100 | 3.67 | van der Waals | A | 752-764 H: 1 | 755 | ASN | ND2 | C2P | A | 100 | 3.75 | H.Bond | A | 832-860 H: 1 | 852 | SER | OG | C9P | A | 100 | 3.99 | van der Waals | A | 832-860 H: 1 | 852 | SER | OG | O9P | A | 100 | 2.88 | H.Bond | A | 832-860 H: 1 | 853 | LEU | CA | O5P | A | 100 | 3.68 | van der Waals | A | 832-860 H: 1 | 853 | LEU | CB | O5P | A | 100 | 3.43 | van der Waals | A | 832-860 H: 1 | 853 | LEU | CD1 | C5P | A | 100 | 3.8 | van der Waals | A | 832-860 H: 1 | 853 | LEU | CD1 | O5P | A | 100 | 3.65 | van der Waals | A | 832-860 H: 1 | 853 | LEU | CD1 | N4P | A | 100 | 3.69 | H.Bond | A | 832-860 H: 1 | 856 | ALA | CB | C7P | A | 100 | 3.75 | van der Waals | A | No SSE | 862 | LEU | CD1 | N4P | A | 100 | 3.85 | H.Bond | A | Water | 2093 | HOH | O | C2B | A | 100 | 3.35 | van der Waals | A | Water | 2093 | HOH | O | O2B | A | 100 | 3.01 | H.Bond | A | Water | 2093 | HOH | O | C3B | A | 100 | 3.62 | van der Waals | A | Water | 2093 | HOH | O | O3B | A | 100 | 3.64 | H.Bond | A | Water | 2093 | HOH | O | P3B | A | 100 | 2.97 | | A | Water | 2093 | HOH | O | O7A | A | 100 | 2.61 | H.Bond | A | Water | 2093 | HOH | O | O9A | A | 100 | 2.47 | H.Bond | |
| 2 / B |
> Structure: LLHHLHHL
> Sequence: EGCLASNRRVKHNSLAL
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COA /(101) |
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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 | 559 | GLU | CG | S1P | B | 101 | 3.52 | van der Waals | B | No SSE | 559 | GLU | CD | S1P | B | 101 | 3.35 | van der Waals | B | No SSE | 559 | GLU | OE1 | S1P | B | 101 | 3.93 | | B | No SSE | 559 | GLU | OE2 | S1P | B | 101 | 3.3 | | B | No SSE | 560 | GLY | O | S1P | B | 101 | 3.33 | | B | 561-576 H: 1 | 561 | CYS | C | S1P | B | 101 | 3.83 | van der Waals | B | 561-576 H: 1 | 562 | LEU | N | S1P | B | 101 | 3.37 | | B | 561-576 H: 1 | 562 | LEU | CA | S1P | B | 101 | 3.62 | van der Waals | B | 561-576 H: 1 | 562 | LEU | CB | S1P | B | 101 | 3.76 | van der Waals | B | 561-576 H: 1 | 564 | ALA | CA | N1A | B | 101 | 3.98 | H.Bond | B | 561-576 H: 1 | 564 | ALA | CA | C2A | B | 101 | 3.68 | van der Waals | B | 561-576 H: 1 | 564 | ALA | CA | N3A | B | 101 | 3.63 | H.Bond | B | 561-576 H: 1 | 564 | ALA | CA | C4A | B | 101 | 3.88 | van der Waals | B | 561-576 H: 1 | 564 | ALA | C | CEP | B | 101 | 3.99 | van der Waals | B | 561-576 H: 1 | 564 | ALA | O | N3A | B | 101 | 3.92 | H.Bond | B | 561-576 H: 1 | 564 | ALA | O | C4A | B | 101 | 3.91 | van der Waals | B | 561-576 H: 1 | 564 | ALA | O | N9A | B | 101 | 3.9 | H.Bond | B | 561-576 H: 1 | 564 | ALA | O | C1B | B | 101 | 3.84 | van der Waals | B | 561-576 H: 1 | 564 | ALA | O | CEP | B | 101 | 3.85 | van der Waals | B | 561-576 H: 1 | 564 | ALA | CB | N1A | B | 101 | 3.69 | H.Bond | B | 561-576 H: 1 | 564 | ALA | CB | C2A | B | 101 | 3.87 | van der Waals | B | 561-576 H: 1 | 564 | ALA | CB | N3A | B | 101 | 3.95 | H.Bond | B | 561-576 H: 1 | 564 | ALA | CB | C4A | B | 101 | 3.76 | van der Waals | B | 561-576 H: 1 | 564 | ALA | CB | C5A | B | 101 | 3.51 | van der Waals | B | 561-576 H: 1 | 564 | ALA | CB | C6A | B | 101 | 3.5 | van der Waals | B | 561-576 H: 1 | 565 | SER | CA | O9P | B | 101 | 3.46 | van der Waals | B | 561-576 H: 1 | 565 | SER | CB | O9P | B | 101 | 3.35 | van der Waals | B | 561-576 H: 1 | 565 | SER | CB | C6P | B | 101 | 3.6 | van der Waals | B | 561-576 H: 1 | 565 | SER | CB | C5P | B | 101 | 3.79 | van der Waals | B | 561-576 H: 1 | 565 | SER | CB | O5P | B | 101 | 3.36 | van der Waals | B | 561-576 H: 1 | 565 | SER | OG | O9P | B | 101 | 3.3 | H.Bond | B | 561-576 H: 1 | 565 | SER | OG | C7P | B | 101 | 3.93 | van der Waals | B | 561-576 H: 1 | 565 | SER | OG | C6P | B | 101 | 3.72 | van der Waals | B | 561-576 H: 1 | 565 | SER | OG | C5P | B | 101 | 3.65 | van der Waals | B | 561-576 H: 1 | 565 | SER | OG | O5P | B | 101 | 2.85 | H.Bond | B | 561-576 H: 1 | 567 | ASN | C | O2B | B | 101 | 3.93 | van der Waals | B | 561-576 H: 1 | 567 | ASN | O | O2B | B | 101 | 3.85 | H.Bond | B | 561-576 H: 1 | 567 | ASN | CB | N3A | B | 101 | 3.67 | H.Bond | B | 561-576 H: 1 | 567 | ASN | CG | N3A | B | 101 | 3.77 | H.Bond | B | 561-576 H: 1 | 567 | ASN | CG | O2B | B | 101 | 3.77 | van der Waals | B | 561-576 H: 1 | 567 | ASN | ND2 | C2A | B | 101 | 3.64 | H.Bond | B | 561-576 H: 1 | 567 | ASN | ND2 | N3A | B | 101 | 2.95 | H.Bond | B | 561-576 H: 1 | 567 | ASN | ND2 | C2B | B | 101 | 3.97 | H.Bond | B | 561-576 H: 1 | 567 | ASN | ND2 | O2B | B | 101 | 3 | H.Bond | B | 561-576 H: 1 | 568 | ARG | N | C1B | B | 101 | 3.9 | H.Bond | B | 561-576 H: 1 | 568 | ARG | N | O2B | B | 101 | 3.97 | H.Bond | B | 561-576 H: 1 | 568 | ARG | CA | C1B | B | 101 | 3.74 | van der Waals | B | 561-576 H: 1 | 568 | ARG | CA | O2B | B | 101 | 3.97 | van der Waals | B | 561-576 H: 1 | 568 | ARG | CA | O4B | B | 101 | 3.72 | van der Waals | B | 561-576 H: 1 | 568 | ARG | CB | C1B | B | 101 | 3.53 | van der Waals | B | 561-576 H: 1 | 568 | ARG | CB | C4B | B | 101 | 3.65 | van der Waals | B | 561-576 H: 1 | 568 | ARG | CB | O4B | B | 101 | 3.08 | van der Waals | B | 561-576 H: 1 | 568 | ARG | CG | C4B | B | 101 | 3.37 | van der Waals | B | 561-576 H: 1 | 568 | ARG | CG | O4B | B | 101 | 3.23 | van der Waals | B | 561-576 H: 1 | 568 | ARG | CD | O4A | B | 101 | 3.96 | van der Waals | B | 561-576 H: 1 | 568 | ARG | CD | CEP | B | 101 | 3.85 | van der Waals | B | 561-576 H: 1 | 568 | ARG | CD | O9P | B | 101 | 3.89 | van der Waals | B | 561-576 H: 1 | 568 | ARG | NE | P2A | B | 101 | 3.88 | | B | 561-576 H: 1 | 568 | ARG | NE | O4A | B | 101 | 2.77 | H.Bond | B | 561-576 H: 1 | 568 | ARG | NE | O6A | B | 101 | 3.81 | H.Bond | B | 561-576 H: 1 | 568 | ARG | CZ | O4A | B | 101 | 3.11 | van der Waals | B | 561-576 H: 1 | 568 | ARG | CZ | CAP | B | 101 | 3.93 | van der Waals | B | 561-576 H: 1 | 568 | ARG | NH1 | CAP | B | 101 | 3.94 | H.Bond | B | 561-576 H: 1 | 568 | ARG | NH1 | C9P | B | 101 | 3.83 | H.Bond | B | 561-576 H: 1 | 568 | ARG | NH1 | O9P | B | 101 | 3.56 | H.Bond | B | 561-576 H: 1 | 568 | ARG | NH2 | P2A | B | 101 | 3.8 | | B | 561-576 H: 1 | 568 | ARG | NH2 | O4A | B | 101 | 2.67 | H.Bond | B | 561-576 H: 1 | 568 | ARG | NH2 | O5A | B | 101 | 3.9 | H.Bond | B | 561-576 H: 1 | 571 | ARG | CG | O9A | B | 101 | 3.89 | van der Waals | B | 561-576 H: 1 | 571 | ARG | CD | O9A | B | 101 | 3.55 | van der Waals | B | 561-576 H: 1 | 571 | ARG | NE | O8A | B | 101 | 3.58 | H.Bond | B | 561-576 H: 1 | 571 | ARG | NE | O9A | B | 101 | 3.54 | H.Bond | B | 713-720 H: 1 | 720 | VAL | O | O4A | B | 101 | 3.31 | H.Bond | B | No SSE | 722 | LYS | CG | O4A | B | 101 | 3.63 | van der Waals | B | No SSE | 722 | LYS | CE | O3A | B | 101 | 3.64 | van der Waals | B | No SSE | 722 | LYS | CE | O4A | B | 101 | 3.57 | van der Waals | B | No SSE | 722 | LYS | NZ | C5B | B | 101 | 3.72 | H.Bond | B | No SSE | 722 | LYS | NZ | P1A | B | 101 | 3.92 | | B | No SSE | 722 | LYS | NZ | O1A | B | 101 | 3.89 | H.Bond | B | No SSE | 722 | LYS | NZ | O3A | B | 101 | 3.09 | H.Bond | B | No SSE | 722 | LYS | NZ | P2A | B | 101 | 3.57 | | B | No SSE | 722 | LYS | NZ | O4A | B | 101 | 2.8 | H.Bond | B | 752-764 H: 1 | 752 | HIS | CD2 | C3P | B | 101 | 3.86 | van der Waals | B | 752-764 H: 1 | 752 | HIS | CD2 | C2P | B | 101 | 3.56 | van der Waals | B | 752-764 H: 1 | 752 | HIS | NE2 | O5P | B | 101 | 3.81 | H.Bond | B | 752-764 H: 1 | 752 | HIS | NE2 | C2P | B | 101 | 3.85 | H.Bond | B | 752-764 H: 1 | 755 | ASN | ND2 | C2P | B | 101 | 3.78 | H.Bond | B | 832-860 H: 1 | 852 | SER | OG | O9P | B | 101 | 2.97 | H.Bond | B | 832-860 H: 1 | 853 | LEU | CA | O5P | B | 101 | 3.81 | van der Waals | B | 832-860 H: 1 | 853 | LEU | CB | O5P | B | 101 | 3.6 | van der Waals | B | 832-860 H: 1 | 853 | LEU | CD1 | C5P | B | 101 | 3.81 | van der Waals | B | 832-860 H: 1 | 853 | LEU | CD1 | O5P | B | 101 | 3.53 | van der Waals | B | 832-860 H: 1 | 853 | LEU | CD1 | N4P | B | 101 | 3.88 | H.Bond | B | 832-860 H: 1 | 856 | ALA | CB | N8P | B | 101 | 3.93 | H.Bond | B | 832-860 H: 1 | 856 | ALA | CB | C7P | B | 101 | 3.69 | van der Waals | B | No SSE | 862 | LEU | CD1 | N4P | B | 101 | 3.88 | H.Bond | |
| 3 / C |
> Structure: LLHHLHHLL
> Sequence: EGCLASNRRVKHNSLALS
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COA /(102) |
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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 | 559 | GLU | CG | S1P | C | 102 | 3.72 | van der Waals | C | No SSE | 559 | GLU | CD | S1P | C | 102 | 3.68 | van der Waals | C | No SSE | 559 | GLU | OE2 | S1P | C | 102 | 3.57 | | C | No SSE | 560 | GLY | O | S1P | C | 102 | 3.34 | | C | 561-576 H: 1 | 561 | CYS | C | S1P | C | 102 | 3.69 | van der Waals | C | 561-576 H: 1 | 561 | CYS | CB | S1P | C | 102 | 3.92 | van der Waals | C | 561-576 H: 1 | 562 | LEU | N | S1P | C | 102 | 3.39 | | C | 561-576 H: 1 | 562 | LEU | CA | S1P | C | 102 | 3.62 | van der Waals | C | 561-576 H: 1 | 562 | LEU | CB | S1P | C | 102 | 3.94 | van der Waals | C | 561-576 H: 1 | 564 | ALA | CA | N1A | C | 102 | 3.89 | H.Bond | C | 561-576 H: 1 | 564 | ALA | CA | C2A | C | 102 | 3.57 | van der Waals | C | 561-576 H: 1 | 564 | ALA | CA | N3A | C | 102 | 3.61 | H.Bond | C | 561-576 H: 1 | 564 | ALA | CA | C4A | C | 102 | 3.98 | van der Waals | C | 561-576 H: 1 | 564 | ALA | C | CEP | C | 102 | 3.73 | van der Waals | C | 561-576 H: 1 | 564 | ALA | O | N3A | C | 102 | 3.71 | H.Bond | C | 561-576 H: 1 | 564 | ALA | O | C4A | C | 102 | 3.83 | van der Waals | C | 561-576 H: 1 | 564 | ALA | O | N9A | C | 102 | 3.94 | H.Bond | C | 561-576 H: 1 | 564 | ALA | O | C1B | C | 102 | 3.91 | van der Waals | C | 561-576 H: 1 | 564 | ALA | O | CEP | C | 102 | 3.63 | van der Waals | C | 561-576 H: 1 | 564 | ALA | CB | N1A | C | 102 | 3.64 | H.Bond | C | 561-576 H: 1 | 564 | ALA | CB | C2A | C | 102 | 3.81 | van der Waals | C | 561-576 H: 1 | 564 | ALA | CB | N3A | C | 102 | 3.99 | H.Bond | C | 561-576 H: 1 | 564 | ALA | CB | C4A | C | 102 | 3.92 | van der Waals | C | 561-576 H: 1 | 564 | ALA | CB | C5A | C | 102 | 3.72 | van der Waals | C | 561-576 H: 1 | 564 | ALA | CB | C6A | C | 102 | 3.58 | van der Waals | C | 561-576 H: 1 | 565 | SER | N | CEP | C | 102 | 3.88 | H.Bond | C | 561-576 H: 1 | 565 | SER | CA | CEP | C | 102 | 3.93 | van der Waals | C | 561-576 H: 1 | 565 | SER | CA | O9P | C | 102 | 3.27 | van der Waals | C | 561-576 H: 1 | 565 | SER | CB | O9P | C | 102 | 3.14 | van der Waals | C | 561-576 H: 1 | 565 | SER | CB | C6P | C | 102 | 3.61 | van der Waals | C | 561-576 H: 1 | 565 | SER | CB | C5P | C | 102 | 3.83 | van der Waals | C | 561-576 H: 1 | 565 | SER | CB | O5P | C | 102 | 3.43 | van der Waals | C | 561-576 H: 1 | 565 | SER | OG | O9P | C | 102 | 3.18 | H.Bond | C | 561-576 H: 1 | 565 | SER | OG | C7P | C | 102 | 3.86 | van der Waals | C | 561-576 H: 1 | 565 | SER | OG | C6P | C | 102 | 3.73 | van der Waals | C | 561-576 H: 1 | 565 | SER | OG | C5P | C | 102 | 3.68 | van der Waals | C | 561-576 H: 1 | 565 | SER | OG | O5P | C | 102 | 2.9 | H.Bond | C | 561-576 H: 1 | 567 | ASN | C | O2B | C | 102 | 3.54 | van der Waals | C | 561-576 H: 1 | 567 | ASN | O | O2B | C | 102 | 3.43 | H.Bond | C | 561-576 H: 1 | 567 | ASN | CB | N3A | C | 102 | 3.52 | H.Bond | C | 561-576 H: 1 | 567 | ASN | CG | N3A | C | 102 | 3.68 | H.Bond | C | 561-576 H: 1 | 567 | ASN | CG | O2B | C | 102 | 3.73 | van der Waals | C | 561-576 H: 1 | 567 | ASN | ND2 | C2A | C | 102 | 3.58 | H.Bond | C | 561-576 H: 1 | 567 | ASN | ND2 | N3A | C | 102 | 2.93 | H.Bond | C | 561-576 H: 1 | 567 | ASN | ND2 | C2B | C | 102 | 3.89 | H.Bond | C | 561-576 H: 1 | 567 | ASN | ND2 | O2B | C | 102 | 3.12 | H.Bond | C | 561-576 H: 1 | 568 | ARG | N | C1B | C | 102 | 3.82 | H.Bond | C | 561-576 H: 1 | 568 | ARG | N | O2B | C | 102 | 3.55 | H.Bond | C | 561-576 H: 1 | 568 | ARG | CA | C1B | C | 102 | 3.63 | van der Waals | C | 561-576 H: 1 | 568 | ARG | CA | O2B | C | 102 | 3.48 | van der Waals | C | 561-576 H: 1 | 568 | ARG | CA | O4B | C | 102 | 3.73 | van der Waals | C | 561-576 H: 1 | 568 | ARG | CB | C1B | C | 102 | 3.49 | van der Waals | C | 561-576 H: 1 | 568 | ARG | CB | C4B | C | 102 | 3.8 | van der Waals | C | 561-576 H: 1 | 568 | ARG | CB | O4B | C | 102 | 3.17 | van der Waals | C | 561-576 H: 1 | 568 | ARG | CG | C4B | C | 102 | 3.43 | van der Waals | C | 561-576 H: 1 | 568 | ARG | CG | O4B | C | 102 | 3.2 | van der Waals | C | 561-576 H: 1 | 568 | ARG | NE | O4A | C | 102 | 3.33 | H.Bond | C | 561-576 H: 1 | 568 | ARG | NE | O6A | C | 102 | 3.42 | H.Bond | C | 561-576 H: 1 | 568 | ARG | CZ | O4A | C | 102 | 3.66 | van der Waals | C | 561-576 H: 1 | 568 | ARG | CZ | O6A | C | 102 | 3.68 | van der Waals | C | 561-576 H: 1 | 568 | ARG | CZ | CAP | C | 102 | 3.76 | van der Waals | C | 561-576 H: 1 | 568 | ARG | NH1 | CAP | C | 102 | 3.89 | H.Bond | C | 561-576 H: 1 | 568 | ARG | NH1 | C9P | C | 102 | 3.79 | H.Bond | C | 561-576 H: 1 | 568 | ARG | NH1 | O9P | C | 102 | 3.64 | H.Bond | C | 561-576 H: 1 | 568 | ARG | NH2 | P2A | C | 102 | 3.73 | | C | 561-576 H: 1 | 568 | ARG | NH2 | O4A | C | 102 | 3.1 | H.Bond | C | 561-576 H: 1 | 568 | ARG | NH2 | O5A | C | 102 | 3.88 | H.Bond | C | 561-576 H: 1 | 568 | ARG | NH2 | O6A | C | 102 | 3.6 | H.Bond | C | 561-576 H: 1 | 571 | ARG | CB | O2B | C | 102 | 3.91 | van der Waals | C | 561-576 H: 1 | 571 | ARG | CG | O9A | C | 102 | 3.96 | van der Waals | C | 561-576 H: 1 | 571 | ARG | CD | O9A | C | 102 | 3.77 | van der Waals | C | 561-576 H: 1 | 571 | ARG | NE | O8A | C | 102 | 3.47 | H.Bond | C | 561-576 H: 1 | 571 | ARG | NE | O9A | C | 102 | 3.76 | H.Bond | C | 713-720 H: 1 | 720 | VAL | O | O4A | C | 102 | 3.25 | H.Bond | C | No SSE | 722 | LYS | CG | O4A | C | 102 | 3.71 | van der Waals | C | No SSE | 722 | LYS | CE | O1A | C | 102 | 3.42 | van der Waals | C | No SSE | 722 | LYS | CE | O4A | C | 102 | 3.45 | van der Waals | C | No SSE | 722 | LYS | NZ | O1A | C | 102 | 2.87 | H.Bond | C | No SSE | 722 | LYS | NZ | O4A | C | 102 | 2.88 | H.Bond | C | 752-764 H: 1 | 752 | HIS | CD2 | C3P | C | 102 | 3.86 | van der Waals | C | 752-764 H: 1 | 752 | HIS | CD2 | C2P | C | 102 | 3.56 | van der Waals | C | 752-764 H: 1 | 752 | HIS | NE2 | O5P | C | 102 | 3.8 | H.Bond | C | 752-764 H: 1 | 752 | HIS | NE2 | C2P | C | 102 | 3.77 | H.Bond | C | 752-764 H: 1 | 755 | ASN | ND2 | C2P | C | 102 | 3.68 | H.Bond | C | 832-859 H: 1 | 852 | SER | OG | C9P | C | 102 | 3.96 | van der Waals | C | 832-859 H: 1 | 852 | SER | OG | O9P | C | 102 | 2.9 | H.Bond | C | 832-859 H: 1 | 853 | LEU | CA | O5P | C | 102 | 3.64 | van der Waals | C | 832-859 H: 1 | 853 | LEU | CB | O5P | C | 102 | 3.46 | van der Waals | C | 832-859 H: 1 | 853 | LEU | CG | O5P | C | 102 | 3.88 | van der Waals | C | 832-859 H: 1 | 853 | LEU | CD1 | C5P | C | 102 | 3.52 | van der Waals | C | 832-859 H: 1 | 853 | LEU | CD1 | O5P | C | 102 | 3.23 | van der Waals | C | 832-859 H: 1 | 853 | LEU | CD1 | N4P | C | 102 | 3.57 | H.Bond | C | 832-859 H: 1 | 853 | LEU | CD1 | C3P | C | 102 | 3.79 | van der Waals | C | 832-859 H: 1 | 856 | ALA | CB | N8P | C | 102 | 3.86 | H.Bond | C | 832-859 H: 1 | 856 | ALA | CB | C7P | C | 102 | 3.53 | van der Waals | C | No SSE | 862 | LEU | CD1 | N4P | C | 102 | 3.59 | H.Bond | C | No SSE | 865 | SER | CB | OAP | C | 102 | 3.4 | van der Waals | C | No SSE | 865 | SER | CB | N8P | C | 102 | 3.79 | H.Bond | C | No SSE | 865 | SER | OG | N8P | C | 102 | 3.5 | H.Bond | |
| 4 / D |
> Structure: LLHHLHHL
+2w
> Sequence: EGCLASNRRVKHNSLAL
|
COA /(103) |
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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 |
---|
D | No SSE | 559 | GLU | CD | S1P | D | 103 | 3.49 | van der Waals | D | No SSE | 559 | GLU | OE1 | S1P | D | 103 | 3.97 | | D | No SSE | 559 | GLU | OE2 | C2P | D | 103 | 3.84 | van der Waals | D | No SSE | 559 | GLU | OE2 | S1P | D | 103 | 3.22 | | D | No SSE | 560 | GLY | O | S1P | D | 103 | 3.48 | | D | 561-576 H: 1 | 561 | CYS | C | S1P | D | 103 | 3.86 | van der Waals | D | 561-576 H: 1 | 562 | LEU | N | S1P | D | 103 | 3.46 | | D | 561-576 H: 1 | 562 | LEU | CA | S1P | D | 103 | 3.57 | van der Waals | D | 561-576 H: 1 | 562 | LEU | CB | S1P | D | 103 | 3.75 | van der Waals | D | 561-576 H: 1 | 564 | ALA | CA | N1A | D | 103 | 3.97 | H.Bond | D | 561-576 H: 1 | 564 | ALA | CA | C2A | D | 103 | 3.66 | van der Waals | D | 561-576 H: 1 | 564 | ALA | CA | N3A | D | 103 | 3.65 | H.Bond | D | 561-576 H: 1 | 564 | ALA | CA | C4A | D | 103 | 3.96 | van der Waals | D | 561-576 H: 1 | 564 | ALA | C | CEP | D | 103 | 3.83 | van der Waals | D | 561-576 H: 1 | 564 | ALA | O | N3A | D | 103 | 3.73 | H.Bond | D | 561-576 H: 1 | 564 | ALA | O | C4A | D | 103 | 3.85 | van der Waals | D | 561-576 H: 1 | 564 | ALA | O | N9A | D | 103 | 3.93 | H.Bond | D | 561-576 H: 1 | 564 | ALA | O | C1B | D | 103 | 3.84 | van der Waals | D | 561-576 H: 1 | 564 | ALA | O | CEP | D | 103 | 3.93 | van der Waals | D | 561-576 H: 1 | 564 | ALA | CB | N1A | D | 103 | 3.8 | H.Bond | D | 561-576 H: 1 | 564 | ALA | CB | C2A | D | 103 | 3.95 | van der Waals | D | 561-576 H: 1 | 564 | ALA | CB | C4A | D | 103 | 3.9 | van der Waals | D | 561-576 H: 1 | 564 | ALA | CB | C5A | D | 103 | 3.71 | van der Waals | D | 561-576 H: 1 | 564 | ALA | CB | C6A | D | 103 | 3.66 | van der Waals | D | 561-576 H: 1 | 564 | ALA | CB | CEP | D | 103 | 3.83 | van der Waals | D | 561-576 H: 1 | 565 | SER | N | CEP | D | 103 | 3.85 | H.Bond | D | 561-576 H: 1 | 565 | SER | CA | CEP | D | 103 | 3.99 | van der Waals | D | 561-576 H: 1 | 565 | SER | CA | O9P | D | 103 | 3.38 | van der Waals | D | 561-576 H: 1 | 565 | SER | CB | O9P | D | 103 | 3.1 | van der Waals | D | 561-576 H: 1 | 565 | SER | CB | C6P | D | 103 | 3.56 | van der Waals | D | 561-576 H: 1 | 565 | SER | CB | C5P | D | 103 | 3.87 | van der Waals | D | 561-576 H: 1 | 565 | SER | CB | O5P | D | 103 | 3.45 | van der Waals | D | 561-576 H: 1 | 565 | SER | OG | O9P | D | 103 | 3 | H.Bond | D | 561-576 H: 1 | 565 | SER | OG | C7P | D | 103 | 3.81 | van der Waals | D | 561-576 H: 1 | 565 | SER | OG | C6P | D | 103 | 3.53 | van der Waals | D | 561-576 H: 1 | 565 | SER | OG | C5P | D | 103 | 3.6 | van der Waals | D | 561-576 H: 1 | 565 | SER | OG | O5P | D | 103 | 2.86 | H.Bond | D | 561-576 H: 1 | 567 | ASN | C | O2B | D | 103 | 3.72 | van der Waals | D | 561-576 H: 1 | 567 | ASN | O | O2B | D | 103 | 3.59 | H.Bond | D | 561-576 H: 1 | 567 | ASN | CB | N3A | D | 103 | 3.66 | H.Bond | D | 561-576 H: 1 | 567 | ASN | CG | N3A | D | 103 | 3.84 | H.Bond | D | 561-576 H: 1 | 567 | ASN | CG | O2B | D | 103 | 3.69 | van der Waals | D | 561-576 H: 1 | 567 | ASN | ND2 | C2A | D | 103 | 3.74 | H.Bond | D | 561-576 H: 1 | 567 | ASN | ND2 | N3A | D | 103 | 3.09 | H.Bond | D | 561-576 H: 1 | 567 | ASN | ND2 | C2B | D | 103 | 3.93 | H.Bond | D | 561-576 H: 1 | 567 | ASN | ND2 | O2B | D | 103 | 2.96 | H.Bond | D | 561-576 H: 1 | 568 | ARG | N | C1B | D | 103 | 3.95 | H.Bond | D | 561-576 H: 1 | 568 | ARG | N | O2B | D | 103 | 3.79 | H.Bond | D | 561-576 H: 1 | 568 | ARG | CA | C1B | D | 103 | 3.76 | van der Waals | D | 561-576 H: 1 | 568 | ARG | CA | O2B | D | 103 | 3.79 | van der Waals | D | 561-576 H: 1 | 568 | ARG | CA | O4B | D | 103 | 3.8 | van der Waals | D | 561-576 H: 1 | 568 | ARG | CB | C1B | D | 103 | 3.65 | van der Waals | D | 561-576 H: 1 | 568 | ARG | CB | C4B | D | 103 | 3.87 | van der Waals | D | 561-576 H: 1 | 568 | ARG | CB | O4B | D | 103 | 3.29 | van der Waals | D | 561-576 H: 1 | 568 | ARG | CG | C4B | D | 103 | 3.43 | van der Waals | D | 561-576 H: 1 | 568 | ARG | CG | O4B | D | 103 | 3.24 | van der Waals | D | 561-576 H: 1 | 568 | ARG | CD | O6A | D | 103 | 3.92 | van der Waals | D | 561-576 H: 1 | 568 | ARG | CD | O9P | D | 103 | 3.95 | van der Waals | D | 561-576 H: 1 | 568 | ARG | NE | P2A | D | 103 | 3.94 | | D | 561-576 H: 1 | 568 | ARG | NE | O4A | D | 103 | 3.14 | H.Bond | D | 561-576 H: 1 | 568 | ARG | NE | O6A | D | 103 | 3.48 | H.Bond | D | 561-576 H: 1 | 568 | ARG | CZ | O4A | D | 103 | 3.68 | van der Waals | D | 561-576 H: 1 | 568 | ARG | CZ | O6A | D | 103 | 3.86 | van der Waals | D | 561-576 H: 1 | 568 | ARG | NH1 | CAP | D | 103 | 3.9 | H.Bond | D | 561-576 H: 1 | 568 | ARG | NH1 | C9P | D | 103 | 3.85 | H.Bond | D | 561-576 H: 1 | 568 | ARG | NH1 | O9P | D | 103 | 3.71 | H.Bond | D | 561-576 H: 1 | 568 | ARG | NH2 | O4A | D | 103 | 3.4 | H.Bond | D | 561-576 H: 1 | 571 | ARG | NE | O8A | D | 103 | 3.69 | H.Bond | D | 713-720 H: 1 | 720 | VAL | O | O4A | D | 103 | 3.25 | H.Bond | D | No SSE | 722 | LYS | CG | O4A | D | 103 | 3.84 | van der Waals | D | No SSE | 722 | LYS | CE | O1A | D | 103 | 3.49 | van der Waals | D | No SSE | 722 | LYS | CE | O4A | D | 103 | 3.57 | van der Waals | D | No SSE | 722 | LYS | NZ | O1A | D | 103 | 2.82 | H.Bond | D | No SSE | 722 | LYS | NZ | P2A | D | 103 | 3.86 | | D | No SSE | 722 | LYS | NZ | O4A | D | 103 | 2.72 | H.Bond | D | 752-764 H: 1 | 752 | HIS | ND1 | C2P | D | 103 | 3.47 | H.Bond | D | 752-764 H: 1 | 752 | HIS | CE1 | O5P | D | 103 | 3.74 | van der Waals | D | 752-764 H: 1 | 752 | HIS | CE1 | C2P | D | 103 | 3.46 | van der Waals | D | 752-764 H: 1 | 755 | ASN | ND2 | C2P | D | 103 | 3.72 | H.Bond | D | 832-860 H: 1 | 852 | SER | OG | O9P | D | 103 | 2.96 | H.Bond | D | 832-860 H: 1 | 853 | LEU | CA | O5P | D | 103 | 3.7 | van der Waals | D | 832-860 H: 1 | 853 | LEU | CB | O5P | D | 103 | 3.47 | van der Waals | D | 832-860 H: 1 | 853 | LEU | CD1 | C5P | D | 103 | 3.69 | van der Waals | D | 832-860 H: 1 | 853 | LEU | CD1 | O5P | D | 103 | 3.49 | van der Waals | D | 832-860 H: 1 | 853 | LEU | CD1 | N4P | D | 103 | 3.64 | H.Bond | D | 832-860 H: 1 | 853 | LEU | CD1 | C3P | D | 103 | 3.86 | van der Waals | D | 832-860 H: 1 | 856 | ALA | CB | N8P | D | 103 | 3.82 | H.Bond | D | 832-860 H: 1 | 856 | ALA | CB | C7P | D | 103 | 3.56 | van der Waals | D | No SSE | 862 | LEU | CD1 | N4P | D | 103 | 3.65 | H.Bond | D | Water | 2257 | HOH | O | O2B | D | 103 | 3.98 | H.Bond | D | Water | 2257 | HOH | O | O9A | D | 103 | 3.56 | H.Bond | D | Water | 2274 | HOH | O | P2A | D | 103 | 3.7 | | D | Water | 2274 | HOH | O | O5A | D | 103 | 2.73 | H.Bond | D | Water | 2274 | HOH | O | O6A | D | 103 | 3.57 | H.Bond | D | Water | 2274 | HOH | O | CAP | D | 103 | 3.36 | van der Waals | D | Water | 2274 | HOH | O | OAP | D | 103 | 2.58 | H.Bond | |
Nbr of Motifs per PDB entry | PDB Entry | Title | Determination Method | Resolution | R-Factor |
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1 | 1R31 | HMG-CoA reductase from Pseudomonas mevalonii complexed with HMG-CoA | X-RAY | 2.10 | 0.222
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| Motif No./Chain | Motif | Bound Ligand /(Nbr. in PDB) | Show Details |
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| 1 / A |
> Structure: LHLLLHH
+8w
> Sequence: RRNEPSIASYKQGARA
|
COA /(1002) |
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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 | 6 | ARG | O | O9A | A | 1002 | 3.72 | H.Bond | A | 9-13 H: 5 | 11 | ARG | CB | N1A | A | 1002 | 3.84 | H.Bond | A | 9-13 H: 5 | 11 | ARG | CG | N1A | A | 1002 | 3.73 | H.Bond | A | 9-13 H: 5 | 11 | ARG | CG | C2A | A | 1002 | 3.47 | van der Waals | A | 9-13 H: 5 | 11 | ARG | CG | N3A | A | 1002 | 3.57 | H.Bond | A | 9-13 H: 5 | 11 | ARG | CG | C4A | A | 1002 | 3.82 | van der Waals | A | 9-13 H: 5 | 11 | ARG | CD | C4A | A | 1002 | 3.77 | van der Waals | A | 9-13 H: 5 | 11 | ARG | CD | C5A | A | 1002 | 3.91 | van der Waals | A | 9-13 H: 5 | 11 | ARG | CD | O7A | A | 1002 | 3.94 | van der Waals | A | 9-13 H: 5 | 11 | ARG | NE | C4A | A | 1002 | 3.76 | H.Bond | A | 9-13 H: 5 | 11 | ARG | NE | C5A | A | 1002 | 3.37 | H.Bond | A | 9-13 H: 5 | 11 | ARG | NE | C6A | A | 1002 | 3.66 | H.Bond | A | 9-13 H: 5 | 11 | ARG | NE | N7A | A | 1002 | 3.58 | H.Bond | A | 9-13 H: 5 | 11 | ARG | NE | C8A | A | 1002 | 3.99 | H.Bond | A | 9-13 H: 5 | 11 | ARG | CZ | C5A | A | 1002 | 3.75 | van der Waals | A | 9-13 H: 5 | 11 | ARG | CZ | N7A | A | 1002 | 3.44 | H.Bond | A | 9-13 H: 5 | 11 | ARG | CZ | C8A | A | 1002 | 3.77 | van der Waals | A | 9-13 H: 5 | 11 | ARG | CZ | O2A | A | 1002 | 3.9 | van der Waals | A | 9-13 H: 5 | 11 | ARG | NH1 | C8A | A | 1002 | 3.93 | H.Bond | A | 9-13 H: 5 | 11 | ARG | NH1 | O2A | A | 1002 | 2.93 | H.Bond | A | 9-13 H: 5 | 11 | ARG | NH2 | C5A | A | 1002 | 3.98 | H.Bond | A | 9-13 H: 5 | 11 | ARG | NH2 | N7A | A | 1002 | 3.44 | H.Bond | A | No SSE | 67 | ASN | ND2 | O9A | A | 1002 | 3.21 | H.Bond | A | No SSE | 83 | GLU | OE2 | C2P | A | 1002 | 3.86 | van der Waals | A | No SSE | 83 | GLU | OE2 | S1P | A | 1002 | 3.57 | | A | No SSE | 84 | PRO | O | C2P | A | 1002 | 3.44 | van der Waals | A | 85-99 H: 1 | 85 | SER | C | N4P | A | 1002 | 3.91 | H.Bond | A | 85-99 H: 1 | 85 | SER | C | C3P | A | 1002 | 3.72 | van der Waals | A | 85-99 H: 1 | 85 | SER | C | C2P | A | 1002 | 3.7 | van der Waals | A | 85-99 H: 1 | 85 | SER | O | N4P | A | 1002 | 3.42 | H.Bond | A | 85-99 H: 1 | 85 | SER | O | C3P | A | 1002 | 3.41 | van der Waals | A | 85-99 H: 1 | 85 | SER | O | C2P | A | 1002 | 3.88 | van der Waals | A | 85-99 H: 1 | 85 | SER | CB | N4P | A | 1002 | 3.53 | H.Bond | A | 85-99 H: 1 | 85 | SER | CB | C2P | A | 1002 | 3.71 | van der Waals | A | 85-99 H: 1 | 86 | ILE | N | C2P | A | 1002 | 3.75 | H.Bond | A | 85-99 H: 1 | 86 | ILE | CG1 | C2P | A | 1002 | 3.72 | van der Waals | A | 85-99 H: 1 | 88 | ALA | O | C1B | A | 1002 | 3.91 | van der Waals | A | 85-99 H: 1 | 88 | ALA | CB | C4A | A | 1002 | 3.7 | van der Waals | A | 85-99 H: 1 | 88 | ALA | CB | C5A | A | 1002 | 3.53 | van der Waals | A | 85-99 H: 1 | 88 | ALA | CB | C6A | A | 1002 | 3.79 | van der Waals | A | 85-99 H: 1 | 88 | ALA | CB | N7A | A | 1002 | 3.91 | H.Bond | A | 85-99 H: 1 | 88 | ALA | CB | CDP | A | 1002 | 3.58 | van der Waals | A | 85-99 H: 1 | 91 | SER | CB | O2B | A | 1002 | 3.8 | van der Waals | A | 85-99 H: 1 | 92 | TYR | CA | O4B | A | 1002 | 3.71 | van der Waals | A | 85-99 H: 1 | 92 | TYR | CB | C1B | A | 1002 | 3.81 | van der Waals | A | 85-99 H: 1 | 92 | TYR | CB | O4B | A | 1002 | 3.14 | van der Waals | A | 85-99 H: 1 | 92 | TYR | CG | C4B | A | 1002 | 3.86 | van der Waals | A | 85-99 H: 1 | 92 | TYR | CG | O4B | A | 1002 | 3.38 | van der Waals | A | 85-99 H: 1 | 92 | TYR | CD1 | C4B | A | 1002 | 3.48 | van der Waals | A | 85-99 H: 1 | 92 | TYR | CD1 | O4B | A | 1002 | 3.57 | van der Waals | A | 85-99 H: 1 | 92 | TYR | CD2 | CEP | A | 1002 | 3.62 | van der Waals | A | 85-99 H: 1 | 92 | TYR | CE2 | O5A | A | 1002 | 3.8 | van der Waals | A | 85-99 H: 1 | 95 | LYS | CD | O3B | A | 1002 | 3.16 | van der Waals | A | 85-99 H: 1 | 95 | LYS | CD | P3B | A | 1002 | 3.91 | | A | 85-99 H: 1 | 95 | LYS | CD | O8A | A | 1002 | 3.74 | van der Waals | A | 85-99 H: 1 | 95 | LYS | CE | O3B | A | 1002 | 3.57 | van der Waals | A | 85-99 H: 1 | 95 | LYS | CE | P3B | A | 1002 | 3.8 | | A | 85-99 H: 1 | 95 | LYS | CE | O8A | A | 1002 | 3.07 | van der Waals | A | 349-374 H: 1 | 364 | GLN | NE2 | C3P | A | 1002 | 3.24 | H.Bond | A | 349-374 H: 1 | 367 | GLY | C | O5P | A | 1002 | 3.68 | van der Waals | A | 349-374 H: 1 | 367 | GLY | O | C7P | A | 1002 | 3.86 | van der Waals | A | 349-374 H: 1 | 367 | GLY | O | O5P | A | 1002 | 3.8 | H.Bond | A | 349-374 H: 1 | 368 | ALA | N | O5P | A | 1002 | 3.38 | H.Bond | A | 349-374 H: 1 | 368 | ALA | CA | O5P | A | 1002 | 3.19 | van der Waals | A | 349-374 H: 1 | 368 | ALA | CB | O5P | A | 1002 | 3.67 | van der Waals | A | 349-374 H: 1 | 370 | ARG | NH2 | C9P | A | 1002 | 3.97 | H.Bond | A | 349-374 H: 1 | 370 | ARG | NH2 | O9P | A | 1002 | 3.6 | H.Bond | A | 349-374 H: 1 | 371 | ALA | CB | C7P | A | 1002 | 3.53 | van der Waals | A | Water | 1048 | HOH | O | C9P | A | 1002 | 3.47 | van der Waals | A | Water | 1048 | HOH | O | O9P | A | 1002 | 2.61 | H.Bond | A | Water | 1048 | HOH | O | N8P | A | 1002 | 3.85 | H.Bond | A | Water | 1048 | HOH | O | C7P | A | 1002 | 3.58 | van der Waals | A | Water | 1054 | HOH | O | O9A | A | 1002 | 3.76 | H.Bond | A | Water | 1055 | HOH | O | P3B | A | 1002 | 3.98 | | A | Water | 1055 | HOH | O | O7A | A | 1002 | 2.99 | H.Bond | A | Water | 1055 | HOH | O | O9A | A | 1002 | 3.72 | H.Bond | A | Water | 1057 | HOH | O | C5A | A | 1002 | 3.58 | van der Waals | A | Water | 1057 | HOH | O | C6A | A | 1002 | 3.96 | van der Waals | A | Water | 1057 | HOH | O | N6A | A | 1002 | 3.49 | H.Bond | A | Water | 1057 | HOH | O | N7A | A | 1002 | 2.69 | H.Bond | A | Water | 1057 | HOH | O | C8A | A | 1002 | 3.72 | van der Waals | A | Water | 1057 | HOH | O | CCP | A | 1002 | 3.3 | van der Waals | A | Water | 1057 | HOH | O | CDP | A | 1002 | 3.91 | van der Waals | A | Water | 1121 | HOH | O | C2A | A | 1002 | 3.14 | van der Waals | A | Water | 1121 | HOH | O | N3A | A | 1002 | 2.65 | H.Bond | A | Water | 1121 | HOH | O | C4A | A | 1002 | 3.91 | van der Waals | A | Water | 1121 | HOH | O | C2B | A | 1002 | 3.72 | van der Waals | A | Water | 1121 | HOH | O | O2B | A | 1002 | 2.87 | H.Bond | A | Water | 1130 | HOH | O | O1A | A | 1002 | 2.95 | H.Bond | A | Water | 1130 | HOH | O | O5A | A | 1002 | 3.71 | H.Bond | A | Water | 1166 | HOH | O | O6A | A | 1002 | 3.7 | H.Bond | A | Water | 1166 | HOH | O | CCP | A | 1002 | 3.71 | van der Waals | A | Water | 1167 | HOH | O | CAP | A | 1002 | 3.7 | van der Waals | A | Water | 1167 | HOH | O | OAP | A | 1002 | 3.87 | H.Bond | A | Water | 1167 | HOH | O | C9P | A | 1002 | 3.88 | van der Waals | |
Nbr of Motifs per PDB entry | PDB Entry | Title | Determination Method | Resolution | R-Factor |
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2 | 1YQZ | Structure of Coenzyme A-Disulfide Reductase from Staphylococcus aureus refined | X-RAY | 1.54 | 0.180
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| Motif No./Chain | Motif | Bound Ligand /(Nbr. in PDB) | Show Details |
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| 1 / A |
> Structure: LLHLLHLLHH
+20w
> Sequence: VAATSQRSFNCAYFKAH
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COA /(441) |
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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 | 10 | VAL | C | C7P | A | 441 | 3.73 | van der Waals | A | No SSE | 10 | VAL | O | C9P | A | 441 | 3.87 | van der Waals | A | No SSE | 10 | VAL | O | O9P | A | 441 | 3.81 | H.Bond | A | No SSE | 10 | VAL | O | N8P | A | 441 | 3.93 | H.Bond | A | No SSE | 10 | VAL | O | C7P | A | 441 | 3.97 | van der Waals | A | No SSE | 10 | VAL | CG1 | C7P | A | 441 | 3.73 | van der Waals | A | No SSE | 11 | ALA | N | C7P | A | 441 | 3.78 | H.Bond | A | No SSE | 11 | ALA | CA | C7P | A | 441 | 3.92 | van der Waals | A | No SSE | 11 | ALA | CB | C5P | A | 441 | 3.94 | van der Waals | A | No SSE | 11 | ALA | CB | N4P | A | 441 | 3.83 | H.Bond | A | No SSE | 11 | ALA | CB | C3P | A | 441 | 3.92 | van der Waals | A | 12-24 H: 1 | 14 | ALA | CB | O9P | A | 441 | 3.34 | van der Waals | A | 12-24 H: 1 | 15 | THR | O | O5A | A | 441 | 3.98 | H.Bond | A | 12-24 H: 1 | 15 | THR | CB | OAP | A | 441 | 3.81 | van der Waals | A | 12-24 H: 1 | 15 | THR | OG1 | CAP | A | 441 | 3.18 | van der Waals | A | 12-24 H: 1 | 15 | THR | OG1 | OAP | A | 441 | 2.72 | H.Bond | A | 12-24 H: 1 | 15 | THR | OG1 | C9P | A | 441 | 3.74 | van der Waals | A | 12-24 H: 1 | 15 | THR | OG1 | N8P | A | 441 | 3.91 | H.Bond | A | 12-24 H: 1 | 15 | THR | CG2 | O4A | A | 441 | 3.75 | van der Waals | A | 12-24 H: 1 | 18 | SER | CB | O5A | A | 441 | 3.34 | van der Waals | A | 12-24 H: 1 | 18 | SER | OG | O2A | A | 441 | 3.17 | H.Bond | A | 12-24 H: 1 | 18 | SER | OG | P2A | A | 441 | 3.87 | | A | 12-24 H: 1 | 18 | SER | OG | O5A | A | 441 | 2.83 | H.Bond | A | 12-24 H: 1 | 18 | SER | OG | O6A | A | 441 | 3.96 | H.Bond | A | 12-24 H: 1 | 19 | GLN | CD | N6A | A | 441 | 3.89 | H.Bond | A | 12-24 H: 1 | 19 | GLN | CD | N7A | A | 441 | 3.63 | H.Bond | A | 12-24 H: 1 | 19 | GLN | CD | O5A | A | 441 | 3.9 | van der Waals | A | 12-24 H: 1 | 19 | GLN | OE1 | C6A | A | 441 | 3.84 | van der Waals | A | 12-24 H: 1 | 19 | GLN | OE1 | N6A | A | 441 | 2.89 | H.Bond | A | 12-24 H: 1 | 19 | GLN | OE1 | N7A | A | 441 | 3.62 | H.Bond | A | 12-24 H: 1 | 19 | GLN | NE2 | C5A | A | 441 | 3.9 | H.Bond | A | 12-24 H: 1 | 19 | GLN | NE2 | N7A | A | 441 | 2.81 | H.Bond | A | 12-24 H: 1 | 19 | GLN | NE2 | C8A | A | 441 | 3.61 | H.Bond | A | 12-24 H: 1 | 19 | GLN | NE2 | P2A | A | 441 | 3.83 | | A | 12-24 H: 1 | 19 | GLN | NE2 | O4A | A | 441 | 3.82 | H.Bond | A | 12-24 H: 1 | 19 | GLN | NE2 | O5A | A | 441 | 2.79 | H.Bond | A | 12-24 H: 1 | 22 | ARG | CD | C5A | A | 441 | 3.73 | van der Waals | A | 12-24 H: 1 | 22 | ARG | CD | C6A | A | 441 | 3.79 | van der Waals | A | 12-24 H: 1 | 22 | ARG | CD | N6A | A | 441 | 3.8 | H.Bond | A | 12-24 H: 1 | 22 | ARG | CD | N7A | A | 441 | 3.75 | H.Bond | A | 12-24 H: 1 | 22 | ARG | NE | N1A | A | 441 | 3.75 | H.Bond | A | 12-24 H: 1 | 22 | ARG | NE | C4A | A | 441 | 3.99 | H.Bond | A | 12-24 H: 1 | 22 | ARG | NE | C5A | A | 441 | 3.54 | H.Bond | A | 12-24 H: 1 | 22 | ARG | NE | C6A | A | 441 | 3.39 | H.Bond | A | 12-24 H: 1 | 22 | ARG | NE | N6A | A | 441 | 3.72 | H.Bond | A | 12-24 H: 1 | 22 | ARG | CZ | N1A | A | 441 | 3.9 | H.Bond | A | 12-24 H: 1 | 22 | ARG | CZ | C2A | A | 441 | 3.86 | van der Waals | A | 12-24 H: 1 | 22 | ARG | CZ | N3A | A | 441 | 3.74 | H.Bond | A | 12-24 H: 1 | 22 | ARG | CZ | C4A | A | 441 | 3.56 | van der Waals | A | 12-24 H: 1 | 22 | ARG | CZ | C5A | A | 441 | 3.61 | van der Waals | A | 12-24 H: 1 | 22 | ARG | CZ | C6A | A | 441 | 3.79 | van der Waals | A | 12-24 H: 1 | 22 | ARG | CZ | O2B | A | 441 | 3.86 | van der Waals | A | 12-24 H: 1 | 22 | ARG | NH1 | C4A | A | 441 | 3.59 | H.Bond | A | 12-24 H: 1 | 22 | ARG | NH1 | C5A | A | 441 | 3.8 | H.Bond | A | 12-24 H: 1 | 22 | ARG | NH1 | C8A | A | 441 | 3.93 | H.Bond | A | 12-24 H: 1 | 22 | ARG | NH1 | N9A | A | 441 | 3.68 | H.Bond | A | 12-24 H: 1 | 22 | ARG | NH1 | C2B | A | 441 | 3.58 | H.Bond | A | 12-24 H: 1 | 22 | ARG | NH1 | O2B | A | 441 | 3.13 | H.Bond | A | 12-24 H: 1 | 22 | ARG | NH2 | N1A | A | 441 | 3.78 | H.Bond | A | 12-24 H: 1 | 22 | ARG | NH2 | C2A | A | 441 | 3.44 | H.Bond | A | 12-24 H: 1 | 22 | ARG | NH2 | N3A | A | 441 | 3.49 | H.Bond | A | 12-24 H: 1 | 22 | ARG | NH2 | C4A | A | 441 | 3.81 | H.Bond | A | 12-24 H: 1 | 22 | ARG | NH2 | O2B | A | 441 | 3.79 | H.Bond | A | No SSE | 39 | SER | CA | O9P | A | 441 | 3.33 | van der Waals | A | No SSE | 39 | SER | CA | C7P | A | 441 | 3.98 | van der Waals | A | No SSE | 39 | SER | CB | O9P | A | 441 | 3.04 | van der Waals | A | No SSE | 39 | SER | OG | CEP | A | 441 | 3.96 | van der Waals | A | No SSE | 39 | SER | OG | C9P | A | 441 | 3.92 | van der Waals | A | No SSE | 39 | SER | OG | O9P | A | 441 | 2.64 | H.Bond | A | No SSE | 40 | PHE | O | C7P | A | 441 | 3.61 | van der Waals | A | No SSE | 40 | PHE | O | C6P | A | 441 | 3.18 | van der Waals | A | 41-43 H: 5 | 42 | ASN | CB | S1P | A | 441 | 3.56 | van der Waals | A | 41-43 H: 5 | 42 | ASN | CG | S1P | A | 441 | 3.81 | van der Waals | A | 41-43 H: 5 | 42 | ASN | OD1 | C6P | A | 441 | 3.48 | van der Waals | A | 41-43 H: 5 | 42 | ASN | OD1 | C5P | A | 441 | 3.67 | van der Waals | A | 41-43 H: 5 | 42 | ASN | OD1 | N4P | A | 441 | 3 | H.Bond | A | 41-43 H: 5 | 42 | ASN | OD1 | S1P | A | 441 | 3.52 | | A | 41-43 H: 5 | 43 | CYS | N | S1P | A | 441 | 3.17 | | A | 41-43 H: 5 | 43 | CYS | CA | S1P | A | 441 | 3.74 | van der Waals | A | 41-43 H: 5 | 43 | CYS | CB | C2P | A | 441 | 3.93 | van der Waals | A | 41-43 H: 5 | 43 | CYS | CB | S1P | A | 441 | 3.19 | van der Waals | A | 41-43 H: 5 | 43 | CYS | SG | C2P | A | 441 | 3.12 | van der Waals | A | 41-43 H: 5 | 43 | CYS | SG | S1P | A | 441 | 2.13 | | A | No SSE | 61 | ALA | CB | CDP | A | 441 | 3.66 | van der Waals | A | No SSE | 62 | TYR | CD1 | CEP | A | 441 | 3.82 | van der Waals | A | No SSE | 62 | TYR | CE1 | CEP | A | 441 | 3.89 | van der Waals | A | 63-72 H: 1 | 67 | PHE | CE1 | CEP | A | 441 | 3.82 | van der Waals | A | 63-72 H: 1 | 71 | LYS | CE | O2A | A | 441 | 3.79 | van der Waals | A | 63-72 H: 1 | 71 | LYS | NZ | O2A | A | 441 | 2.87 | H.Bond | A | 294-311 H: 1 | 295 | ALA | CB | C3P | A | 441 | 3.5 | van der Waals | A | 294-311 H: 1 | 295 | ALA | CB | C2P | A | 441 | 3.48 | van der Waals | A | 294-311 H: 1 | 299 | HIS | CD2 | O5P | A | 441 | 3.88 | van der Waals | A | 294-311 H: 1 | 299 | HIS | CE1 | OAP | A | 441 | 3.34 | van der Waals | A | 294-311 H: 1 | 299 | HIS | CE1 | O5P | A | 441 | 3.53 | van der Waals | A | 294-311 H: 1 | 299 | HIS | NE2 | OAP | A | 441 | 3.72 | H.Bond | A | 294-311 H: 1 | 299 | HIS | NE2 | C5P | A | 441 | 3.95 | H.Bond | A | 294-311 H: 1 | 299 | HIS | NE2 | O5P | A | 441 | 2.76 | H.Bond | A | Water | 3099 | HOH | O | N6A | A | 441 | 3.91 | H.Bond | A | Water | 3136 | HOH | O | P3B | A | 441 | 3.67 | | A | Water | 3136 | HOH | O | O7A | A | 441 | 2.69 | H.Bond | A | Water | 3136 | HOH | O | O8A | A | 441 | 3.97 | H.Bond | A | Water | 3165 | HOH | O | C6P | A | 441 | 3.99 | van der Waals | A | Water | 3171 | HOH | O | O3A | A | 441 | 3.85 | H.Bond | A | Water | 3171 | HOH | O | P2A | A | 441 | 3.84 | | A | Water | 3171 | HOH | O | O4A | A | 441 | 2.76 | H.Bond | A | Water | 3259 | HOH | O | C2A | A | 441 | 3.26 | van der Waals | A | Water | 3259 | HOH | O | N3A | A | 441 | 2.85 | H.Bond | A | Water | 3259 | HOH | O | O2B | A | 441 | 3.46 | H.Bond | A | Water | 3309 | HOH | O | N6A | A | 441 | 3.78 | H.Bond | A | Water | 3333 | HOH | O | C2A | A | 441 | 3.58 | van der Waals | A | Water | 3366 | HOH | O | P3B | A | 441 | 3.62 | | A | Water | 3366 | HOH | O | O9A | A | 441 | 2.4 | H.Bond | A | Water | 3371 | HOH | O | P3B | A | 441 | 3.73 | | A | Water | 3371 | HOH | O | O7A | A | 441 | 3.8 | H.Bond | A | Water | 3371 | HOH | O | O8A | A | 441 | 2.53 | H.Bond | A | Water | 3372 | HOH | O | O2B | A | 441 | 3.45 | H.Bond | A | Water | 3398 | HOH | O | O2B | A | 441 | 3.45 | H.Bond | A | Water | 3398 | HOH | O | C3B | A | 441 | 3.85 | van der Waals | A | Water | 3398 | HOH | O | O9A | A | 441 | 2.77 | H.Bond | A | Water | 3440 | HOH | O | N1A | A | 441 | 3.62 | H.Bond | A | Water | 3440 | HOH | O | C6A | A | 441 | 3.62 | van der Waals | A | Water | 3440 | HOH | O | N6A | A | 441 | 2.79 | H.Bond | A | Water | 3485 | HOH | O | CBP | A | 441 | 3.8 | van der Waals | A | Water | 3485 | HOH | O | CCP | A | 441 | 3.73 | van der Waals | A | Water | 3485 | HOH | O | CDP | A | 441 | 3.37 | van der Waals | A | Water | 3485 | HOH | O | CAP | A | 441 | 3.68 | van der Waals | A | Water | 3485 | HOH | O | OAP | A | 441 | 2.8 | H.Bond | A | Water | 3485 | HOH | O | N8P | A | 441 | 3.68 | H.Bond | A | Water | 3485 | HOH | O | O5P | A | 441 | 3.43 | H.Bond | A | Water | 3510 | HOH | O | C4B | A | 441 | 3.83 | van der Waals | A | Water | 3510 | HOH | O | O4B | A | 441 | 3.06 | H.Bond | A | Water | 3514 | HOH | O | O5B | A | 441 | 3.98 | H.Bond | A | Water | 3514 | HOH | O | P1A | A | 441 | 3.74 | | A | Water | 3514 | HOH | O | O2A | A | 441 | 2.51 | H.Bond | A | Water | 3523 | HOH | O | C5B | A | 441 | 3.47 | van der Waals | A | Water | 3523 | HOH | O | P1A | A | 441 | 3.94 | | A | Water | 3523 | HOH | O | O1A | A | 441 | 2.98 | H.Bond | A | Water | 3523 | HOH | O | O3A | A | 441 | 3.9 | H.Bond | A | Water | 3523 | HOH | O | CCP | A | 441 | 3.63 | van der Waals | A | Water | 3523 | HOH | O | CDP | A | 441 | 3.99 | van der Waals | A | Water | 3647 | HOH | O | CDP | A | 441 | 3.45 | van der Waals | A | Water | 3667 | HOH | O | N1A | A | 441 | 2.74 | H.Bond | A | Water | 3667 | HOH | O | C2A | A | 441 | 3.43 | van der Waals | A | Water | 3667 | HOH | O | C6A | A | 441 | 3.77 | van der Waals | A | Water | 3667 | HOH | O | N6A | A | 441 | 3.96 | H.Bond | A | Water | 3685 | HOH | O | P1A | A | 441 | 3.52 | | A | Water | 3685 | HOH | O | O1A | A | 441 | 2.72 | H.Bond | A | Water | 3685 | HOH | O | O2A | A | 441 | 3.5 | H.Bond | A | Water | 3718 | HOH | O | C4B | A | 441 | 3.93 | van der Waals | A | Water | 3718 | HOH | O | C5B | A | 441 | 3.34 | van der Waals | |
| 2 / B |
> Structure: LLHLLHLLHH
+12w
> Sequence: VAATSQRSFNCAYFRKAH
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COA /(442) |
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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 | 10 | VAL | C | O9P | B | 442 | 3.93 | van der Waals | B | No SSE | 10 | VAL | C | C7P | B | 442 | 3.91 | van der Waals | B | No SSE | 10 | VAL | O | C9P | B | 442 | 3.8 | van der Waals | B | No SSE | 10 | VAL | O | O9P | B | 442 | 3.59 | H.Bond | B | No SSE | 10 | VAL | CG1 | C7P | B | 442 | 3.84 | van der Waals | B | No SSE | 11 | ALA | N | C7P | B | 442 | 3.85 | H.Bond | B | No SSE | 11 | ALA | CA | C7P | B | 442 | 3.97 | van der Waals | B | No SSE | 11 | ALA | CA | O5P | B | 442 | 3.58 | van der Waals | B | No SSE | 11 | ALA | CB | O5P | B | 442 | 3.68 | van der Waals | B | 12-24 H: 1 | 14 | ALA | CB | CEP | B | 442 | 3.96 | van der Waals | B | 12-24 H: 1 | 14 | ALA | CB | O9P | B | 442 | 3.3 | van der Waals | B | 12-24 H: 1 | 15 | THR | N | CAP | B | 442 | 3.83 | H.Bond | B | 12-24 H: 1 | 15 | THR | CA | CAP | B | 442 | 3.96 | van der Waals | B | 12-24 H: 1 | 15 | THR | CB | OAP | B | 442 | 3.75 | van der Waals | B | 12-24 H: 1 | 15 | THR | OG1 | CAP | B | 442 | 3.15 | van der Waals | B | 12-24 H: 1 | 15 | THR | OG1 | OAP | B | 442 | 2.64 | H.Bond | B | 12-24 H: 1 | 15 | THR | OG1 | C9P | B | 442 | 3.75 | van der Waals | B | 12-24 H: 1 | 15 | THR | OG1 | N8P | B | 442 | 3.93 | H.Bond | B | 12-24 H: 1 | 15 | THR | CG2 | O4A | B | 442 | 3.88 | van der Waals | B | 12-24 H: 1 | 18 | SER | CB | O2A | B | 442 | 3.84 | van der Waals | B | 12-24 H: 1 | 18 | SER | CB | O5A | B | 442 | 3.58 | van der Waals | B | 12-24 H: 1 | 18 | SER | OG | P1A | B | 442 | 3.88 | | B | 12-24 H: 1 | 18 | SER | OG | O2A | B | 442 | 3.19 | H.Bond | B | 12-24 H: 1 | 18 | SER | OG | O2A | B | 442 | 2.6 | H.Bond | B | 12-24 H: 1 | 18 | SER | OG | O5A | B | 442 | 3.17 | H.Bond | B | 12-24 H: 1 | 19 | GLN | CD | N7A | B | 442 | 3.53 | H.Bond | B | 12-24 H: 1 | 19 | GLN | CD | N7A | B | 442 | 3.69 | H.Bond | B | 12-24 H: 1 | 19 | GLN | OE1 | C5A | B | 442 | 3.99 | van der Waals | B | 12-24 H: 1 | 19 | GLN | OE1 | C6A | B | 442 | 3.89 | van der Waals | B | 12-24 H: 1 | 19 | GLN | OE1 | C6A | B | 442 | 3.96 | van der Waals | B | 12-24 H: 1 | 19 | GLN | OE1 | N6A | B | 442 | 3 | H.Bond | B | 12-24 H: 1 | 19 | GLN | OE1 | N6A | B | 442 | 3.02 | H.Bond | B | 12-24 H: 1 | 19 | GLN | OE1 | N7A | B | 442 | 3.46 | H.Bond | B | 12-24 H: 1 | 19 | GLN | OE1 | N7A | B | 442 | 3.59 | H.Bond | B | 12-24 H: 1 | 19 | GLN | NE2 | C5A | B | 442 | 3.95 | H.Bond | B | 12-24 H: 1 | 19 | GLN | NE2 | N7A | B | 442 | 2.79 | H.Bond | B | 12-24 H: 1 | 19 | GLN | NE2 | N7A | B | 442 | 2.95 | H.Bond | B | 12-24 H: 1 | 19 | GLN | NE2 | C8A | B | 442 | 3.5 | H.Bond | B | 12-24 H: 1 | 19 | GLN | NE2 | C8A | B | 442 | 3.68 | H.Bond | B | 12-24 H: 1 | 19 | GLN | NE2 | O1A | B | 442 | 3.62 | H.Bond | B | 12-24 H: 1 | 19 | GLN | NE2 | P2A | B | 442 | 3.99 | | B | 12-24 H: 1 | 19 | GLN | NE2 | O4A | B | 442 | 3.82 | H.Bond | B | 12-24 H: 1 | 19 | GLN | NE2 | O5A | B | 442 | 2.93 | H.Bond | B | 12-24 H: 1 | 22 | ARG | CD | C5A | B | 442 | 3.83 | van der Waals | B | 12-24 H: 1 | 22 | ARG | CD | N7A | B | 442 | 3.58 | H.Bond | B | 12-24 H: 1 | 22 | ARG | CD | N7A | B | 442 | 3.86 | H.Bond | B | 12-24 H: 1 | 22 | ARG | NE | C5A | B | 442 | 3.53 | H.Bond | B | 12-24 H: 1 | 22 | ARG | NE | C5A | B | 442 | 3.69 | H.Bond | B | 12-24 H: 1 | 22 | ARG | NE | C6A | B | 442 | 3.57 | H.Bond | B | 12-24 H: 1 | 22 | ARG | NE | C6A | B | 442 | 3.61 | H.Bond | B | 12-24 H: 1 | 22 | ARG | NE | N6A | B | 442 | 3.8 | H.Bond | B | 12-24 H: 1 | 22 | ARG | NE | N6A | B | 442 | 3.78 | H.Bond | B | 12-24 H: 1 | 22 | ARG | NE | N7A | B | 442 | 3.8 | H.Bond | B | 12-24 H: 1 | 22 | ARG | CZ | N3A | B | 442 | 3.99 | H.Bond | B | 12-24 H: 1 | 22 | ARG | CZ | C4A | B | 442 | 3.61 | van der Waals | B | 12-24 H: 1 | 22 | ARG | CZ | C4A | B | 442 | 3.8 | van der Waals | B | 12-24 H: 1 | 22 | ARG | CZ | C5A | B | 442 | 3.55 | van der Waals | B | 12-24 H: 1 | 22 | ARG | CZ | C5A | B | 442 | 3.69 | van der Waals | B | 12-24 H: 1 | 22 | ARG | CZ | C6A | B | 442 | 3.86 | van der Waals | B | 12-24 H: 1 | 22 | ARG | CZ | C6A | B | 442 | 3.88 | van der Waals | B | 12-24 H: 1 | 22 | ARG | CZ | N7A | B | 442 | 3.95 | H.Bond | B | 12-24 H: 1 | 22 | ARG | NH1 | C4A | B | 442 | 3.63 | H.Bond | B | 12-24 H: 1 | 22 | ARG | NH1 | C4A | B | 442 | 3.86 | H.Bond | B | 12-24 H: 1 | 22 | ARG | NH1 | C5A | B | 442 | 3.79 | H.Bond | B | 12-24 H: 1 | 22 | ARG | NH1 | C5A | B | 442 | 3.94 | H.Bond | B | 12-24 H: 1 | 22 | ARG | NH1 | N7A | B | 442 | 3.87 | H.Bond | B | 12-24 H: 1 | 22 | ARG | NH1 | C8A | B | 442 | 3.71 | H.Bond | B | 12-24 H: 1 | 22 | ARG | NH1 | N9A | B | 442 | 3.58 | H.Bond | B | 12-24 H: 1 | 22 | ARG | NH1 | N9A | B | 442 | 3.9 | H.Bond | B | 12-24 H: 1 | 22 | ARG | NH1 | C2B | B | 442 | 3.58 | H.Bond | B | 12-24 H: 1 | 22 | ARG | NH1 | C2B | B | 442 | 3.92 | H.Bond | B | 12-24 H: 1 | 22 | ARG | NH1 | O2B | B | 442 | 3.31 | H.Bond | B | 12-24 H: 1 | 22 | ARG | NH1 | C3B | B | 442 | 3.77 | H.Bond | B | 12-24 H: 1 | 22 | ARG | NH1 | O7A | B | 442 | 3.33 | H.Bond | B | 12-24 H: 1 | 22 | ARG | NH2 | N1A | B | 442 | 3.9 | H.Bond | B | 12-24 H: 1 | 22 | ARG | NH2 | N1A | B | 442 | 3.86 | H.Bond | B | 12-24 H: 1 | 22 | ARG | NH2 | C2A | B | 442 | 3.71 | H.Bond | B | 12-24 H: 1 | 22 | ARG | NH2 | C2A | B | 442 | 3.71 | H.Bond | B | 12-24 H: 1 | 22 | ARG | NH2 | N3A | B | 442 | 3.7 | H.Bond | B | 12-24 H: 1 | 22 | ARG | NH2 | N3A | B | 442 | 3.78 | H.Bond | B | 12-24 H: 1 | 22 | ARG | NH2 | C4A | B | 442 | 3.81 | H.Bond | B | 12-24 H: 1 | 22 | ARG | NH2 | C4A | B | 442 | 3.93 | H.Bond | B | 12-24 H: 1 | 22 | ARG | NH2 | O7A | B | 442 | 3.98 | H.Bond | B | No SSE | 39 | SER | CA | O9P | B | 442 | 3.16 | van der Waals | B | No SSE | 39 | SER | CB | O9P | B | 442 | 3.06 | van der Waals | B | No SSE | 39 | SER | CB | O9P | B | 442 | 3.08 | van der Waals | B | No SSE | 39 | SER | OG | CEP | B | 442 | 3.32 | van der Waals | B | No SSE | 39 | SER | OG | C9P | B | 442 | 3.97 | van der Waals | B | No SSE | 39 | SER | OG | O9P | B | 442 | 2.8 | H.Bond | B | No SSE | 40 | PHE | O | C7P | B | 442 | 3.4 | van der Waals | B | No SSE | 40 | PHE | O | C6P | B | 442 | 3.22 | van der Waals | B | 41-43 H: 5 | 42 | ASN | CB | S1P | B | 442 | 3.72 | van der Waals | B | 41-43 H: 5 | 42 | ASN | ND2 | C6P | B | 442 | 3.49 | H.Bond | B | 41-43 H: 5 | 42 | ASN | ND2 | C5P | B | 442 | 3.76 | H.Bond | B | 41-43 H: 5 | 42 | ASN | ND2 | N4P | B | 442 | 3.58 | H.Bond | B | 41-43 H: 5 | 42 | ASN | ND2 | S1P | B | 442 | 3.69 | | B | 41-43 H: 5 | 43 | CYS | N | S1P | B | 442 | 3.27 | | B | 41-43 H: 5 | 43 | CYS | CA | S1P | B | 442 | 3.85 | van der Waals | B | 41-43 H: 5 | 43 | CYS | CB | C2P | B | 442 | 3.86 | van der Waals | B | 41-43 H: 5 | 43 | CYS | CB | S1P | B | 442 | 3.26 | van der Waals | B | 41-43 H: 5 | 43 | CYS | SG | C2P | B | 442 | 3.04 | van der Waals | B | 41-43 H: 5 | 43 | CYS | SG | S1P | B | 442 | 2.12 | | B | No SSE | 61 | ALA | CB | CDP | B | 442 | 3.66 | van der Waals | B | No SSE | 62 | TYR | CD1 | CEP | B | 442 | 3.88 | van der Waals | B | No SSE | 62 | TYR | CE1 | P2A | B | 442 | 3.99 | | B | No SSE | 62 | TYR | CE1 | O4A | B | 442 | 3.64 | van der Waals | B | No SSE | 62 | TYR | CE1 | O6A | B | 442 | 3.71 | van der Waals | B | No SSE | 62 | TYR | CE1 | CEP | B | 442 | 3.8 | van der Waals | B | No SSE | 62 | TYR | CZ | O4A | B | 442 | 3.54 | van der Waals | B | No SSE | 62 | TYR | OH | P2A | B | 442 | 3.8 | | B | No SSE | 62 | TYR | OH | O4A | B | 442 | 2.63 | H.Bond | B | 63-72 H: 1 | 67 | PHE | CE1 | CEP | B | 442 | 3.75 | van der Waals | B | 63-72 H: 1 | 70 | ARG | NH2 | O9A | B | 442 | 3.5 | H.Bond | B | 63-72 H: 1 | 71 | LYS | CE | O2A | B | 442 | 3.92 | van der Waals | B | 63-72 H: 1 | 71 | LYS | CE | O2A | B | 442 | 3.99 | van der Waals | B | 63-72 H: 1 | 71 | LYS | CE | O4A | B | 442 | 3.84 | van der Waals | B | 63-72 H: 1 | 71 | LYS | NZ | O2A | B | 442 | 3.1 | H.Bond | B | 63-72 H: 1 | 71 | LYS | NZ | O2A | B | 442 | 3.14 | H.Bond | B | 63-72 H: 1 | 71 | LYS | NZ | O4A | B | 442 | 3.78 | H.Bond | B | 294-311 H: 1 | 295 | ALA | CB | C3P | B | 442 | 3.68 | van der Waals | B | 294-311 H: 1 | 295 | ALA | CB | C2P | B | 442 | 3.48 | van der Waals | B | 294-311 H: 1 | 295 | ALA | CB | S1P | B | 442 | 3.98 | van der Waals | B | 294-311 H: 1 | 299 | HIS | CD2 | O5P | B | 442 | 3.82 | van der Waals | B | 294-311 H: 1 | 299 | HIS | CE1 | OAP | B | 442 | 3.75 | van der Waals | B | 294-311 H: 1 | 299 | HIS | CE1 | O5P | B | 442 | 3.51 | van der Waals | B | 294-311 H: 1 | 299 | HIS | NE2 | C5P | B | 442 | 3.85 | H.Bond | B | 294-311 H: 1 | 299 | HIS | NE2 | O5P | B | 442 | 2.73 | H.Bond | B | 294-311 H: 1 | 299 | HIS | NE2 | C3P | B | 442 | 3.71 | H.Bond | B | Water | 3118 | HOH | O | C6P | B | 442 | 3.76 | van der Waals | B | Water | 3154 | HOH | O | CDP | B | 442 | 3.61 | van der Waals | B | Water | 3154 | HOH | O | CAP | B | 442 | 3.79 | van der Waals | B | Water | 3154 | HOH | O | OAP | B | 442 | 2.77 | H.Bond | B | Water | 3154 | HOH | O | N8P | B | 442 | 3.61 | H.Bond | B | Water | 3154 | HOH | O | O5P | B | 442 | 3.7 | H.Bond | B | Water | 3188 | HOH | O | CDP | B | 442 | 3.64 | van der Waals | B | Water | 3320 | HOH | O | N1A | B | 442 | 3.78 | H.Bond | B | Water | 3320 | HOH | O | N1A | B | 442 | 3.73 | H.Bond | B | Water | 3320 | HOH | O | C6A | B | 442 | 3.62 | van der Waals | B | Water | 3320 | HOH | O | C6A | B | 442 | 3.6 | van der Waals | B | Water | 3320 | HOH | O | N6A | B | 442 | 2.68 | H.Bond | B | Water | 3320 | HOH | O | N6A | B | 442 | 2.68 | H.Bond | B | Water | 3352 | HOH | O | O5P | B | 442 | 3.8 | H.Bond | B | Water | 3352 | HOH | O | N4P | B | 442 | 3.98 | H.Bond | B | Water | 3352 | HOH | O | C3P | B | 442 | 3.77 | van der Waals | B | Water | 3373 | HOH | O | N6A | B | 442 | 3.55 | H.Bond | B | Water | 3373 | HOH | O | N6A | B | 442 | 3.54 | H.Bond | B | Water | 3407 | HOH | O | N4P | B | 442 | 3.47 | H.Bond | B | Water | 3407 | HOH | O | C3P | B | 442 | 3.5 | van der Waals | B | Water | 3407 | HOH | O | C2P | B | 442 | 3.55 | van der Waals | B | Water | 3408 | HOH | O | N6A | B | 442 | 2.77 | H.Bond | B | Water | 3408 | HOH | O | N6A | B | 442 | 2.79 | H.Bond | B | Water | 3413 | HOH | O | O5B | B | 442 | 3.34 | H.Bond | B | Water | 3413 | HOH | O | P1A | B | 442 | 3.49 | | B | Water | 3413 | HOH | O | O2A | B | 442 | 2.97 | H.Bond | B | Water | 3413 | HOH | O | O2A | B | 442 | 2.57 | H.Bond | B | Water | 3475 | HOH | O | O5A | B | 442 | 3.45 | H.Bond | B | Water | 3475 | HOH | O | CDP | B | 442 | 3.65 | van der Waals | B | Water | 3550 | HOH | O | C8A | B | 442 | 3.74 | van der Waals | B | Water | 3550 | HOH | O | N9A | B | 442 | 3.87 | H.Bond | B | Water | 3550 | HOH | O | C1B | B | 442 | 3.92 | van der Waals | B | Water | 3550 | HOH | O | O4B | B | 442 | 3.06 | H.Bond | B | Water | 3550 | HOH | O | O4B | B | 442 | 3.2 | H.Bond | B | Water | 3631 | HOH | O | C2A | B | 442 | 3.5 | van der Waals | B | Water | 3631 | HOH | O | C2A | B | 442 | 3.54 | van der Waals | B | Water | 3631 | HOH | O | N3A | B | 442 | 2.79 | H.Bond | B | Water | 3631 | HOH | O | N3A | B | 442 | 2.74 | H.Bond | B | Water | 3631 | HOH | O | C4A | B | 442 | 3.91 | van der Waals | B | Water | 3631 | HOH | O | C4A | B | 442 | 3.8 | van der Waals | B | Water | 3631 | HOH | O | C1B | B | 442 | 3.72 | van der Waals | B | Water | 3631 | HOH | O | C1B | B | 442 | 3.51 | van der Waals | B | Water | 3631 | HOH | O | C2B | B | 442 | 3.22 | van der Waals | B | Water | 3631 | HOH | O | O2B | B | 442 | 3.57 | H.Bond | B | Water | 3631 | HOH | O | O2B | B | 442 | 2.65 | H.Bond | |
Nbr of Motifs per PDB entry | PDB Entry | Title | Determination Method | Resolution | R-Factor |
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2 | 2VJK | FORMYL-COA TRANSFERASE WITH ASPARTYL-COA THIOESTER INTERMEDIATE DERIVED FROM OXALYL-COA | X-RAY | 1.97 | 0.175
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| Motif No./Chain | Motif | Bound Ligand /(Nbr. in PDB) | Show Details |
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| 1 / A |
> Structure: LLHLLLLLLLLHSLLHLH
+8w
> Sequence: HVQARLDMKNFGARMVKVYDM
|
COA /(1169) |
[+] |
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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 | 15 | HIS | CE1 | O1A | A | 1169 | 3.35 | van der Waals | A | No SSE | 15 | HIS | CE1 | OAP | A | 1169 | 3.26 | van der Waals | A | No SSE | 15 | HIS | NE2 | O1A | A | 1169 | 3.5 | H.Bond | A | No SSE | 15 | HIS | NE2 | OAP | A | 1169 | 3.03 | H.Bond | A | No SSE | 16 | VAL | CG1 | C3P | A | 1169 | 3.91 | van der Waals | A | 17-29 H: 1 | 17 | GLN | CB | S1P | A | 1169 | 3.9 | van der Waals | A | 17-29 H: 1 | 17 | GLN | NE2 | C2P | A | 1169 | 3.58 | H.Bond | A | 17-29 H: 1 | 17 | GLN | NE2 | S1P | A | 1169 | 3.91 | | A | 17-29 H: 1 | 18 | ALA | N | S1P | A | 1169 | 3.45 | | A | 17-29 H: 1 | 18 | ALA | CB | S1P | A | 1169 | 3.43 | van der Waals | A | No SSE | 38 | ARG | N | N6A | A | 1169 | 3.77 | H.Bond | A | No SSE | 38 | ARG | CA | N6A | A | 1169 | 3.56 | H.Bond | A | No SSE | 38 | ARG | CB | N6A | A | 1169 | 3.91 | H.Bond | A | No SSE | 38 | ARG | CG | N6A | A | 1169 | 3.92 | H.Bond | A | No SSE | 38 | ARG | CZ | C5A | A | 1169 | 3.95 | van der Waals | A | No SSE | 38 | ARG | CZ | N7A | A | 1169 | 3.63 | H.Bond | A | No SSE | 38 | ARG | CZ | C8A | A | 1169 | 3.57 | van der Waals | A | No SSE | 38 | ARG | CZ | N9A | A | 1169 | 3.87 | H.Bond | A | No SSE | 38 | ARG | NH1 | N3A | A | 1169 | 3.94 | H.Bond | A | No SSE | 38 | ARG | NH1 | C4A | A | 1169 | 3.39 | H.Bond | A | No SSE | 38 | ARG | NH1 | C5A | A | 1169 | 3.59 | H.Bond | A | No SSE | 38 | ARG | NH1 | N7A | A | 1169 | 3.69 | H.Bond | A | No SSE | 38 | ARG | NH1 | C8A | A | 1169 | 3.57 | H.Bond | A | No SSE | 38 | ARG | NH1 | N9A | A | 1169 | 3.39 | H.Bond | A | No SSE | 38 | ARG | NH1 | C1B | A | 1169 | 3.97 | H.Bond | A | No SSE | 38 | ARG | NH1 | O4B | A | 1169 | 3.57 | H.Bond | A | No SSE | 38 | ARG | NH2 | N7A | A | 1169 | 3.59 | H.Bond | A | No SSE | 38 | ARG | NH2 | C8A | A | 1169 | 3.18 | H.Bond | A | No SSE | 38 | ARG | NH2 | N9A | A | 1169 | 3.72 | H.Bond | A | No SSE | 38 | ARG | NH2 | O4B | A | 1169 | 3.59 | H.Bond | A | No SSE | 72 | LEU | O | N1A | A | 1169 | 3.68 | H.Bond | A | No SSE | 72 | LEU | O | C6A | A | 1169 | 3.82 | van der Waals | A | No SSE | 72 | LEU | O | N6A | A | 1169 | 3.06 | H.Bond | A | No SSE | 73 | ASP | CA | N1A | A | 1169 | 3.99 | H.Bond | A | No SSE | 74 | MET | N | N1A | A | 1169 | 3.2 | H.Bond | A | No SSE | 74 | MET | N | C2A | A | 1169 | 3.58 | H.Bond | A | No SSE | 74 | MET | CB | N1A | A | 1169 | 3.84 | H.Bond | A | No SSE | 75 | LYS | N | C2A | A | 1169 | 3.83 | H.Bond | A | No SSE | 75 | LYS | CG | C2A | A | 1169 | 3.85 | van der Waals | A | No SSE | 75 | LYS | CG | N3A | A | 1169 | 3.93 | H.Bond | A | No SSE | 75 | LYS | CD | N3A | A | 1169 | 3.82 | H.Bond | A | No SSE | 75 | LYS | CE | N3A | A | 1169 | 3.75 | H.Bond | A | No SSE | 75 | LYS | NZ | O3B | A | 1169 | 3.81 | H.Bond | A | No SSE | 75 | LYS | NZ | O8A | A | 1169 | 3.41 | H.Bond | A | No SSE | 96 | ASN | C | N8P | A | 1169 | 3.61 | H.Bond | A | No SSE | 96 | ASN | C | C7P | A | 1169 | 3.85 | van der Waals | A | No SSE | 96 | ASN | O | OAP | A | 1169 | 3.19 | H.Bond | A | No SSE | 96 | ASN | O | C9P | A | 1169 | 3.84 | van der Waals | A | No SSE | 96 | ASN | O | N8P | A | 1169 | 2.81 | H.Bond | A | No SSE | 96 | ASN | O | C7P | A | 1169 | 3.37 | van der Waals | A | No SSE | 96 | ASN | O | O5P | A | 1169 | 3.81 | H.Bond | A | No SSE | 96 | ASN | CB | O5P | A | 1169 | 3.54 | van der Waals | A | No SSE | 96 | ASN | CG | O5P | A | 1169 | 3.58 | van der Waals | A | No SSE | 96 | ASN | ND2 | C5P | A | 1169 | 3.98 | H.Bond | A | No SSE | 96 | ASN | ND2 | O5P | A | 1169 | 2.77 | H.Bond | A | No SSE | 97 | PHE | CA | O1A | A | 1169 | 3.98 | van der Waals | A | No SSE | 97 | PHE | CA | O2A | A | 1169 | 3.91 | van der Waals | A | No SSE | 97 | PHE | CA | OAP | A | 1169 | 3.55 | van der Waals | A | No SSE | 97 | PHE | C | O2A | A | 1169 | 3.79 | van der Waals | A | No SSE | 97 | PHE | C | CAP | A | 1169 | 3.96 | van der Waals | A | No SSE | 97 | PHE | C | OAP | A | 1169 | 3.44 | van der Waals | A | No SSE | 97 | PHE | C | C9P | A | 1169 | 3.72 | van der Waals | A | No SSE | 97 | PHE | C | N8P | A | 1169 | 3.53 | H.Bond | A | No SSE | 97 | PHE | O | C9P | A | 1169 | 3.77 | van der Waals | A | No SSE | 97 | PHE | O | N8P | A | 1169 | 3.37 | H.Bond | A | No SSE | 97 | PHE | O | C7P | A | 1169 | 3.47 | van der Waals | A | No SSE | 97 | PHE | CB | O2A | A | 1169 | 3.77 | van der Waals | A | No SSE | 97 | PHE | CD2 | O1A | A | 1169 | 3.99 | van der Waals | A | No SSE | 97 | PHE | CE2 | N7A | A | 1169 | 3.63 | H.Bond | A | No SSE | 97 | PHE | CE2 | C8A | A | 1169 | 3.34 | van der Waals | A | No SSE | 97 | PHE | CZ | N7A | A | 1169 | 3.87 | H.Bond | A | No SSE | 97 | PHE | CZ | C8A | A | 1169 | 3.85 | van der Waals | A | No SSE | 98 | GLY | N | P1A | A | 1169 | 3.85 | | A | No SSE | 98 | GLY | N | O1A | A | 1169 | 3.86 | H.Bond | A | No SSE | 98 | GLY | N | O2A | A | 1169 | 2.78 | H.Bond | A | No SSE | 98 | GLY | N | CAP | A | 1169 | 3.55 | H.Bond | A | No SSE | 98 | GLY | N | OAP | A | 1169 | 3.26 | H.Bond | A | No SSE | 98 | GLY | N | C9P | A | 1169 | 3.6 | H.Bond | A | No SSE | 98 | GLY | N | N8P | A | 1169 | 3.89 | H.Bond | A | No SSE | 98 | GLY | CA | O2A | A | 1169 | 3.48 | van der Waals | A | No SSE | 98 | GLY | CA | CAP | A | 1169 | 3.88 | van der Waals | A | No SSE | 98 | GLY | CA | C9P | A | 1169 | 3.69 | van der Waals | A | No SSE | 98 | GLY | CA | O9P | A | 1169 | 3.65 | van der Waals | A | 100-105 H: 1 | 101 | ALA | CB | O2B | A | 1169 | 3.66 | van der Waals | A | 100-105 H: 1 | 104 | ARG | CB | O9A | A | 1169 | 3.98 | van der Waals | A | 100-105 H: 1 | 104 | ARG | CD | O9A | A | 1169 | 3.73 | van der Waals | A | 100-105 H: 1 | 104 | ARG | NE | P3B | A | 1169 | 3.9 | | A | 100-105 H: 1 | 104 | ARG | NE | O7A | A | 1169 | 3.98 | H.Bond | A | 100-105 H: 1 | 104 | ARG | NE | O9A | A | 1169 | 2.85 | H.Bond | A | 100-105 H: 1 | 104 | ARG | CZ | O9A | A | 1169 | 3.66 | van der Waals | A | 100-105 H: 1 | 104 | ARG | NH2 | P3B | A | 1169 | 3.89 | | A | 100-105 H: 1 | 104 | ARG | NH2 | O7A | A | 1169 | 3.11 | H.Bond | A | 100-105 H: 1 | 104 | ARG | NH2 | O9A | A | 1169 | 3.61 | H.Bond | A | 100-105 H: 1 | 105 | MET | CE | N3A | A | 1169 | 3.68 | H.Bond | A | 100-105 H: 1 | 105 | MET | CE | C4A | A | 1169 | 3.64 | van der Waals | A | 100-105 H: 1 | 105 | MET | CE | N9A | A | 1169 | 3.86 | H.Bond | A | 100-105 H: 1 | 105 | MET | CE | C2B | A | 1169 | 3.98 | van der Waals | A | 100-105 H: 1 | 105 | MET | CE | O2B | A | 1169 | 2.93 | van der Waals | A | 120-125 S: 1 | 124 | VAL | O | C7P | A | 1169 | 3.46 | van der Waals | A | No SSE | 137 | LYS | CA | O9P | A | 1169 | 3.74 | van der Waals | A | No SSE | 137 | LYS | CB | CEP | A | 1169 | 3.62 | van der Waals | A | No SSE | 137 | LYS | CB | O9P | A | 1169 | 3.96 | van der Waals | A | No SSE | 137 | LYS | CG | O9P | A | 1169 | 3.89 | van der Waals | A | No SSE | 137 | LYS | CD | O4A | A | 1169 | 3.86 | van der Waals | A | No SSE | 137 | LYS | CD | O6A | A | 1169 | 3.7 | van der Waals | A | No SSE | 137 | LYS | CE | O3A | A | 1169 | 3.42 | van der Waals | A | No SSE | 137 | LYS | CE | O4A | A | 1169 | 3.71 | van der Waals | A | No SSE | 137 | LYS | CE | O6A | A | 1169 | 3.92 | van der Waals | A | No SSE | 137 | LYS | NZ | O3A | A | 1169 | 3.14 | H.Bond | A | No SSE | 137 | LYS | NZ | P2A | A | 1169 | 3.64 | | A | No SSE | 137 | LYS | NZ | O4A | A | 1169 | 2.96 | H.Bond | A | No SSE | 138 | VAL | N | O9P | A | 1169 | 3.93 | H.Bond | A | No SSE | 138 | VAL | O | C6P | A | 1169 | 3.91 | van der Waals | A | No SSE | 138 | VAL | O | C5P | A | 1169 | 3.93 | van der Waals | A | No SSE | 138 | VAL | O | N4P | A | 1169 | 2.98 | H.Bond | A | No SSE | 138 | VAL | O | C3P | A | 1169 | 3.67 | van der Waals | A | 139-147 H: 1 | 139 | TYR | CE1 | CEP | A | 1169 | 3.75 | van der Waals | A | 139-147 H: 1 | 139 | TYR | CE2 | CEP | A | 1169 | 3.98 | van der Waals | A | 139-147 H: 1 | 139 | TYR | CZ | CEP | A | 1169 | 3.5 | van der Waals | A | 139-147 H: 1 | 139 | TYR | OH | O6A | A | 1169 | 3.94 | H.Bond | A | 139-147 H: 1 | 139 | TYR | OH | CCP | A | 1169 | 3.76 | van der Waals | A | 139-147 H: 1 | 139 | TYR | OH | CEP | A | 1169 | 3.55 | van der Waals | A | No SSE | 169 | ASP | CA | S1P | A | 1169 | 3.6 | van der Waals | A | No SSE | 169 | ASP | CB | S1P | A | 1169 | 3.02 | van der Waals | A | No SSE | 169 | ASP | CG | C2P | A | 1169 | 2.76 | van der Waals | A | No SSE | 169 | ASP | CG | S1P | A | 1169 | 1.96 | van der Waals, Covalent | A | No SSE | 169 | ASP | OD1 | C2P | A | 1169 | 2.83 | van der Waals | A | No SSE | 169 | ASP | OD1 | S1P | A | 1169 | 2.76 | | A | 200-208 H: 1 | 200 | MET | SD | C6P | A | 1169 | 3.71 | van der Waals | A | 200-208 H: 1 | 200 | MET | SD | C5P | A | 1169 | 3.81 | van der Waals | A | 200-208 H: 1 | 200 | MET | SD | N4P | A | 1169 | 3.63 | | A | 200-208 H: 1 | 200 | MET | CE | C2P | A | 1169 | 3.86 | van der Waals | A | 200-208 H: 1 | 200 | MET | CE | S1P | A | 1169 | 3.92 | van der Waals | A | Water | 2030 | HOH | O | N1A | A | 1169 | 3.99 | H.Bond | A | Water | 2074 | HOH | O | N1A | A | 1169 | 3.85 | H.Bond | A | Water | 2074 | HOH | O | C2A | A | 1169 | 3.19 | van der Waals | A | Water | 2074 | HOH | O | N3A | A | 1169 | 3.81 | H.Bond | A | Water | 2075 | HOH | O | C1B | A | 1169 | 3.64 | van der Waals | A | Water | 2075 | HOH | O | C4B | A | 1169 | 3.86 | van der Waals | A | Water | 2075 | HOH | O | O4B | A | 1169 | 3.2 | H.Bond | A | Water | 2157 | HOH | O | C2P | A | 1169 | 3.61 | van der Waals | A | Water | 2177 | HOH | O | C9P | A | 1169 | 3.87 | van der Waals | A | Water | 2177 | HOH | O | O9P | A | 1169 | 2.7 | H.Bond | A | Water | 2177 | HOH | O | C7P | A | 1169 | 3.73 | van der Waals | A | Water | 2177 | HOH | O | C6P | A | 1169 | 3.67 | van der Waals | A | Water | 2178 | HOH | O | C5A | A | 1169 | 3.45 | van der Waals | A | Water | 2178 | HOH | O | C6A | A | 1169 | 3.6 | van der Waals | A | Water | 2178 | HOH | O | N6A | A | 1169 | 2.9 | H.Bond | A | Water | 2178 | HOH | O | N7A | A | 1169 | 2.75 | H.Bond | A | Water | 2178 | HOH | O | C8A | A | 1169 | 3.91 | van der Waals | A | Water | 2179 | HOH | O | C2B | A | 1169 | 3.9 | van der Waals | A | Water | 2179 | HOH | O | O2B | A | 1169 | 2.84 | H.Bond | A | Water | 2179 | HOH | O | C3B | A | 1169 | 3.94 | van der Waals | A | Water | 2179 | HOH | O | O3B | A | 1169 | 2.9 | H.Bond | A | Water | 2179 | HOH | O | P3B | A | 1169 | 3.48 | | A | Water | 2179 | HOH | O | O9A | A | 1169 | 2.71 | H.Bond | A | Water | 2180 | HOH | O | O7A | A | 1169 | 2.73 | H.Bond | A | Water | 2180 | HOH | O | C5B | A | 1169 | 3.95 | van der Waals | A | Water | 2180 | HOH | O | P1A | A | 1169 | 3.56 | | A | Water | 2180 | HOH | O | O2A | A | 1169 | 2.57 | H.Bond | A | Water | 2180 | HOH | O | O3A | A | 1169 | 3.5 | H.Bond | |
| 2 / B |
> Structure: LLHSLHHLLLLLLLHHL
+11w
> Sequence: HVQERMYLDMKNFGARMYED
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COA /(1169) |
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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 | 15 | HIS | ND1 | O3A | B | 1169 | 3.84 | H.Bond | B | No SSE | 15 | HIS | ND1 | CCP | B | 1169 | 3.98 | H.Bond | B | No SSE | 15 | HIS | CD2 | CCP | B | 1169 | 3.79 | van der Waals | B | No SSE | 15 | HIS | CD2 | CDP | B | 1169 | 3.65 | van der Waals | B | No SSE | 15 | HIS | CE1 | O3A | B | 1169 | 3.38 | van der Waals | B | No SSE | 15 | HIS | CE1 | P2A | B | 1169 | 3.9 | | B | No SSE | 15 | HIS | CE1 | O4A | B | 1169 | 3.28 | van der Waals | B | No SSE | 15 | HIS | CE1 | CCP | B | 1169 | 3.58 | van der Waals | B | No SSE | 15 | HIS | NE2 | O4A | B | 1169 | 3.48 | H.Bond | B | No SSE | 15 | HIS | NE2 | CCP | B | 1169 | 3.44 | H.Bond | B | No SSE | 15 | HIS | NE2 | OAP | B | 1169 | 3.97 | H.Bond | B | No SSE | 16 | VAL | CB | O5P | B | 1169 | 3.45 | van der Waals | B | No SSE | 16 | VAL | CG1 | C5P | B | 1169 | 3.99 | van der Waals | B | No SSE | 16 | VAL | CG1 | O5P | B | 1169 | 3.23 | van der Waals | B | No SSE | 16 | VAL | CG1 | C3P | B | 1169 | 3.37 | van der Waals | B | No SSE | 16 | VAL | CG2 | CDP | B | 1169 | 3.54 | van der Waals | B | No SSE | 16 | VAL | CG2 | O5P | B | 1169 | 3.17 | van der Waals | B | 17-29 H: 1 | 17 | GLN | CB | S1P | B | 1169 | 3.67 | van der Waals | B | 17-29 H: 1 | 17 | GLN | NE2 | S1P | B | 1169 | 3.38 | | B | 32-37 S: 1 | 37 | GLU | C | N6A | B | 1169 | 3.84 | H.Bond | B | 32-37 S: 1 | 37 | GLU | O | N6A | B | 1169 | 3.89 | H.Bond | B | No SSE | 38 | ARG | N | N6A | B | 1169 | 3.6 | H.Bond | B | No SSE | 38 | ARG | CA | N6A | B | 1169 | 3.46 | H.Bond | B | No SSE | 38 | ARG | CB | N6A | B | 1169 | 3.82 | H.Bond | B | No SSE | 38 | ARG | CZ | C4A | B | 1169 | 3.99 | van der Waals | B | No SSE | 38 | ARG | NH1 | C2A | B | 1169 | 3.93 | H.Bond | B | No SSE | 38 | ARG | NH1 | N3A | B | 1169 | 3.75 | H.Bond | B | No SSE | 38 | ARG | NH1 | C4A | B | 1169 | 3.87 | H.Bond | B | No SSE | 38 | ARG | NH2 | C4A | B | 1169 | 3.72 | H.Bond | B | No SSE | 38 | ARG | NH2 | C8A | B | 1169 | 3.71 | H.Bond | B | No SSE | 38 | ARG | NH2 | N9A | B | 1169 | 3.51 | H.Bond | B | No SSE | 38 | ARG | NH2 | C1B | B | 1169 | 3.89 | H.Bond | B | No SSE | 38 | ARG | NH2 | C4B | B | 1169 | 3.81 | H.Bond | B | No SSE | 38 | ARG | NH2 | O4B | B | 1169 | 3.06 | H.Bond | B | No SSE | 38 | ARG | NH2 | C5B | B | 1169 | 3.41 | H.Bond | B | No SSE | 38 | ARG | NH2 | O5B | B | 1169 | 3.49 | H.Bond | B | No SSE | 38 | ARG | NH2 | P1A | B | 1169 | 3.97 | | B | No SSE | 38 | ARG | NH2 | O2A | B | 1169 | 3.85 | H.Bond | B | 43-48 H: 5 | 44 | MET | SD | CDP | B | 1169 | 3.7 | van der Waals | B | 43-48 H: 5 | 44 | MET | SD | C7P | B | 1169 | 3.91 | van der Waals | B | 57-62 H: 1 | 59 | TYR | OH | S1P | B | 1169 | 3.87 | | B | No SSE | 72 | LEU | O | N1A | B | 1169 | 3.26 | H.Bond | B | No SSE | 72 | LEU | O | C6A | B | 1169 | 3.51 | van der Waals | B | No SSE | 72 | LEU | O | N6A | B | 1169 | 2.91 | H.Bond | B | No SSE | 73 | ASP | CA | N1A | B | 1169 | 3.77 | H.Bond | B | No SSE | 73 | ASP | C | N1A | B | 1169 | 3.9 | H.Bond | B | No SSE | 73 | ASP | OD1 | C2A | B | 1169 | 3.66 | van der Waals | B | No SSE | 74 | MET | N | N1A | B | 1169 | 3.06 | H.Bond | B | No SSE | 74 | MET | N | C2A | B | 1169 | 3.28 | H.Bond | B | No SSE | 74 | MET | CA | N1A | B | 1169 | 3.96 | H.Bond | B | No SSE | 74 | MET | CA | C2A | B | 1169 | 3.95 | van der Waals | B | No SSE | 74 | MET | CB | N1A | B | 1169 | 3.75 | H.Bond | B | No SSE | 74 | MET | CB | C2A | B | 1169 | 3.83 | van der Waals | B | No SSE | 74 | MET | CE | N1A | B | 1169 | 3.98 | H.Bond | B | No SSE | 74 | MET | CE | C4A | B | 1169 | 3.78 | van der Waals | B | No SSE | 74 | MET | CE | C5A | B | 1169 | 3.17 | van der Waals | B | No SSE | 74 | MET | CE | C6A | B | 1169 | 3.31 | van der Waals | B | No SSE | 74 | MET | CE | N6A | B | 1169 | 3.51 | H.Bond | B | No SSE | 74 | MET | CE | N7A | B | 1169 | 3.33 | H.Bond | B | No SSE | 74 | MET | CE | C8A | B | 1169 | 3.97 | van der Waals | B | No SSE | 75 | LYS | N | C2A | B | 1169 | 3.83 | H.Bond | B | No SSE | 75 | LYS | CE | N3A | B | 1169 | 3.71 | H.Bond | B | No SSE | 75 | LYS | NZ | C1B | B | 1169 | 3.88 | H.Bond | B | No SSE | 75 | LYS | NZ | O4B | B | 1169 | 3.59 | H.Bond | B | No SSE | 96 | ASN | O | O4A | B | 1169 | 3.97 | H.Bond | B | No SSE | 97 | PHE | CA | O4A | B | 1169 | 3.34 | van der Waals | B | No SSE | 97 | PHE | C | O4A | B | 1169 | 3.7 | van der Waals | B | No SSE | 97 | PHE | CD2 | O3A | B | 1169 | 3.36 | van der Waals | B | No SSE | 97 | PHE | CD2 | O4A | B | 1169 | 3.88 | van der Waals | B | No SSE | 97 | PHE | CE2 | N7A | B | 1169 | 3.91 | H.Bond | B | No SSE | 97 | PHE | CE2 | C8A | B | 1169 | 3.42 | van der Waals | B | No SSE | 97 | PHE | CE2 | O2A | B | 1169 | 3.88 | van der Waals | B | No SSE | 97 | PHE | CE2 | O3A | B | 1169 | 3.76 | van der Waals | B | No SSE | 97 | PHE | CZ | C8A | B | 1169 | 3.85 | van der Waals | B | No SSE | 98 | GLY | N | O4A | B | 1169 | 3.35 | H.Bond | B | 100-105 H: 1 | 101 | ALA | O | O2B | B | 1169 | 3.73 | H.Bond | B | 100-105 H: 1 | 101 | ALA | CB | O2B | B | 1169 | 3.83 | van der Waals | B | 100-105 H: 1 | 101 | ALA | CB | O9A | B | 1169 | 3.88 | van der Waals | B | 100-105 H: 1 | 104 | ARG | CD | O8A | B | 1169 | 3.82 | van der Waals | B | 100-105 H: 1 | 104 | ARG | NE | O8A | B | 1169 | 3.07 | H.Bond | B | 100-105 H: 1 | 104 | ARG | NE | O9A | B | 1169 | 3.73 | H.Bond | B | 100-105 H: 1 | 104 | ARG | CZ | O8A | B | 1169 | 3.96 | van der Waals | B | 100-105 H: 1 | 104 | ARG | CZ | O9A | B | 1169 | 3.8 | van der Waals | B | 100-105 H: 1 | 104 | ARG | NH1 | O8A | B | 1169 | 3.95 | H.Bond | B | 100-105 H: 1 | 104 | ARG | NH1 | O9A | B | 1169 | 3 | H.Bond | B | 100-105 H: 1 | 105 | MET | SD | O2B | B | 1169 | 3.57 | | B | 100-105 H: 1 | 105 | MET | CE | O2B | B | 1169 | 3.07 | van der Waals | B | 139-147 H: 1 | 139 | TYR | CB | N4P | B | 1169 | 3.65 | H.Bond | B | 139-147 H: 1 | 139 | TYR | CB | C2P | B | 1169 | 3.77 | van der Waals | B | 139-147 H: 1 | 139 | TYR | CG | C6P | B | 1169 | 3.84 | van der Waals | B | 139-147 H: 1 | 139 | TYR | CG | C5P | B | 1169 | 3.89 | van der Waals | B | 139-147 H: 1 | 139 | TYR | CG | N4P | B | 1169 | 3.71 | H.Bond | B | 139-147 H: 1 | 139 | TYR | CD1 | C6P | B | 1169 | 3.87 | van der Waals | B | 139-147 H: 1 | 139 | TYR | CD1 | C5P | B | 1169 | 3.61 | van der Waals | B | 139-147 H: 1 | 139 | TYR | CD1 | N4P | B | 1169 | 3.67 | H.Bond | B | 139-147 H: 1 | 139 | TYR | CD2 | C6P | B | 1169 | 3.97 | van der Waals | B | 139-147 H: 1 | 139 | TYR | CE1 | OAP | B | 1169 | 3.66 | van der Waals | B | 139-147 H: 1 | 139 | TYR | CZ | OAP | B | 1169 | 3.66 | van der Waals | B | 139-147 H: 1 | 139 | TYR | OH | CAP | B | 1169 | 3.76 | van der Waals | B | 139-147 H: 1 | 139 | TYR | OH | OAP | B | 1169 | 3.02 | H.Bond | B | 139-147 H: 1 | 139 | TYR | OH | C9P | B | 1169 | 3.98 | van der Waals | B | 139-147 H: 1 | 140 | GLU | N | C2P | B | 1169 | 3.56 | H.Bond | B | 139-147 H: 1 | 140 | GLU | CB | C2P | B | 1169 | 3.83 | van der Waals | B | 139-147 H: 1 | 140 | GLU | CB | S1P | B | 1169 | 3.85 | van der Waals | B | 139-147 H: 1 | 140 | GLU | OE1 | S1P | B | 1169 | 3.86 | | B | No SSE | 169 | ASP | CB | S1P | B | 1169 | 2.78 | van der Waals | B | No SSE | 169 | ASP | CG | C2P | B | 1169 | 2.77 | van der Waals | B | No SSE | 169 | ASP | CG | S1P | B | 1169 | 1.77 | van der Waals, Covalent | B | No SSE | 169 | ASP | OD1 | C2P | B | 1169 | 2.92 | van der Waals | B | No SSE | 169 | ASP | OD1 | S1P | B | 1169 | 2.63 | | B | Water | 2015 | HOH | O | O2A | B | 1169 | 3.21 | H.Bond | B | Water | 2032 | HOH | O | N1A | B | 1169 | 3.69 | H.Bond | B | Water | 2041 | HOH | O | CDP | B | 1169 | 3.7 | van der Waals | B | Water | 2071 | HOH | O | C4B | B | 1169 | 3.29 | van der Waals | B | Water | 2071 | HOH | O | O4B | B | 1169 | 3.76 | H.Bond | B | Water | 2071 | HOH | O | C5B | B | 1169 | 3.14 | van der Waals | B | Water | 2105 | HOH | O | OAP | B | 1169 | 3.2 | H.Bond | B | Water | 2183 | HOH | O | C5B | B | 1169 | 3.28 | van der Waals | B | Water | 2183 | HOH | O | O5B | B | 1169 | 3.92 | H.Bond | B | Water | 2183 | HOH | O | P1A | B | 1169 | 3.69 | | B | Water | 2183 | HOH | O | O1A | B | 1169 | 2.4 | H.Bond | B | Water | 2183 | HOH | O | O5A | B | 1169 | 3.83 | H.Bond | B | Water | 2183 | HOH | O | O6A | B | 1169 | 3.76 | H.Bond | B | Water | 2183 | HOH | O | CEP | B | 1169 | 3.91 | van der Waals | B | Water | 2184 | HOH | O | C9P | B | 1169 | 3.88 | van der Waals | B | Water | 2184 | HOH | O | O9P | B | 1169 | 2.75 | H.Bond | B | Water | 2184 | HOH | O | C7P | B | 1169 | 3.71 | van der Waals | B | Water | 2185 | HOH | O | C5A | B | 1169 | 3.35 | van der Waals | B | Water | 2185 | HOH | O | C6A | B | 1169 | 3.59 | van der Waals | B | Water | 2185 | HOH | O | N6A | B | 1169 | 2.96 | H.Bond | B | Water | 2185 | HOH | O | N7A | B | 1169 | 2.58 | H.Bond | B | Water | 2185 | HOH | O | C8A | B | 1169 | 3.7 | van der Waals | B | Water | 2186 | HOH | O | C2B | B | 1169 | 3.71 | van der Waals | B | Water | 2186 | HOH | O | O2B | B | 1169 | 2.68 | H.Bond | B | Water | 2186 | HOH | O | C3B | B | 1169 | 3.83 | van der Waals | B | Water | 2186 | HOH | O | O3B | B | 1169 | 2.84 | H.Bond | B | Water | 2186 | HOH | O | P3B | B | 1169 | 3.5 | | B | Water | 2186 | HOH | O | O8A | B | 1169 | 2.86 | H.Bond | B | Water | 2187 | HOH | O | P2A | B | 1169 | 3.8 | | B | Water | 2187 | HOH | O | O4A | B | 1169 | 2.6 | H.Bond | B | Water | 2187 | HOH | O | O6A | B | 1169 | 3.91 | H.Bond | B | Water | 2187 | HOH | O | OAP | B | 1169 | 3.04 | H.Bond | B | Water | 2188 | HOH | O | OAP | B | 1169 | 3.87 | H.Bond | B | Water | 2188 | HOH | O | C5P | B | 1169 | 3.63 | van der Waals | B | Water | 2188 | HOH | O | O5P | B | 1169 | 2.73 | H.Bond | |
Nbr of Motifs per PDB entry | PDB Entry | Title | Determination Method | Resolution | R-Factor |
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1 | 4EU9 | SUCCINYL-COA:ACETATE COA-TRANSFERASE (AARCH6-R228E) IN COMPL COA AND A COVALENT GLUTAMYL-COA THIOESTER ADDUCT | X-ray | 1.48 | 0.159
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| Motif No./Chain | Motif | Bound Ligand /(Nbr. in PDB) | Show Details |
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| 1 / A |
> Structure: LSLLSLLLLSLLLLHSLS
+27w
> Sequence: FQGENGMISVMNGIGSAKI
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COA /(2598) |
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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 | 92 | PHE | CE1 | C6P | A | 2598 | 3.73 | van der Waals | A | 266-267 S: 0 | 267 | GLN | NE2 | C2P | A | 2598 | 3.17 | H.Bond | A | No SSE | 269 | GLY | CA | S1P | A | 2598 | 3.52 | van der Waals | A | No SSE | 294 | GLU | CD | C2P | A | 2598 | 3.72 | van der Waals | A | No SSE | 294 | GLU | OE1 | C3P | A | 2598 | 3.85 | van der Waals | A | No SSE | 294 | GLU | OE1 | C2P | A | 2598 | 3.08 | van der Waals | A | No SSE | 294 | GLU | OE1 | S1P | A | 2598 | 3.66 | | A | 358-361 S: 1 | 361 | ASN | OD1 | O5P | A | 2598 | 3.89 | H.Bond | A | 358-361 S: 1 | 361 | ASN | OD1 | C3P | A | 2598 | 3.08 | van der Waals | A | 358-361 S: 1 | 361 | ASN | OD1 | C2P | A | 2598 | 3.28 | van der Waals | A | No SSE | 362 | GLY | CA | OAP | A | 2598 | 3.67 | van der Waals | A | No SSE | 362 | GLY | C | OAP | A | 2598 | 3.89 | van der Waals | A | No SSE | 363 | MET | N | CDP | A | 2598 | 3.71 | H.Bond | A | No SSE | 363 | MET | CA | CDP | A | 2598 | 3.63 | van der Waals | A | No SSE | 363 | MET | C | CDP | A | 2598 | 3.49 | van der Waals | A | No SSE | 363 | MET | O | CDP | A | 2598 | 3.95 | van der Waals | A | No SSE | 364 | ILE | N | CDP | A | 2598 | 3.6 | H.Bond | A | No SSE | 364 | ILE | CA | N7A | A | 2598 | 3.67 | H.Bond | A | No SSE | 364 | ILE | C | N6A | A | 2598 | 3.55 | H.Bond | A | No SSE | 364 | ILE | C | N7A | A | 2598 | 3.94 | H.Bond | A | No SSE | 364 | ILE | O | C5A | A | 2598 | 3.76 | van der Waals | A | No SSE | 364 | ILE | O | C6A | A | 2598 | 3.63 | van der Waals | A | No SSE | 364 | ILE | O | N6A | A | 2598 | 2.75 | H.Bond | A | No SSE | 364 | ILE | O | N7A | A | 2598 | 3.37 | H.Bond | A | No SSE | 364 | ILE | CG2 | N1A | A | 2598 | 3.94 | H.Bond | A | No SSE | 364 | ILE | CG2 | C5A | A | 2598 | 3.75 | van der Waals | A | No SSE | 364 | ILE | CG2 | C6A | A | 2598 | 3.49 | van der Waals | A | No SSE | 364 | ILE | CG2 | N6A | A | 2598 | 3.58 | H.Bond | A | No SSE | 364 | ILE | CD1 | C8A | A | 2598 | 3.89 | van der Waals | A | No SSE | 364 | ILE | CD1 | N9A | A | 2598 | 3.92 | H.Bond | A | No SSE | 364 | ILE | CD1 | O4B | A | 2598 | 3.98 | van der Waals | A | No SSE | 364 | ILE | CD1 | CEP | A | 2598 | 3.94 | van der Waals | A | No SSE | 374 | SER | O | CDP | A | 2598 | 3.59 | van der Waals | A | 376-377 S: 0 | 377 | VAL | CG1 | C2A | A | 2598 | 3.84 | van der Waals | A | 376-377 S: 0 | 377 | VAL | CG2 | C2A | A | 2598 | 3.98 | van der Waals | A | 376-377 S: 0 | 377 | VAL | CG2 | N3A | A | 2598 | 3.97 | H.Bond | A | No SSE | 383 | MET | CG | CEP | A | 2598 | 3.7 | van der Waals | A | No SSE | 383 | MET | CE | C1B | A | 2598 | 3.91 | van der Waals | A | No SSE | 383 | MET | CE | O3B | A | 2598 | 3.96 | van der Waals | A | No SSE | 383 | MET | CE | C4B | A | 2598 | 3.95 | van der Waals | A | No SSE | 383 | MET | CE | O4B | A | 2598 | 3.53 | van der Waals | A | No SSE | 384 | ASN | CB | O9P | A | 2598 | 3.59 | van der Waals | A | No SSE | 384 | ASN | CG | O9P | A | 2598 | 3.69 | van der Waals | A | No SSE | 384 | ASN | ND2 | CEP | A | 2598 | 3.86 | H.Bond | A | No SSE | 384 | ASN | ND2 | C9P | A | 2598 | 3.92 | H.Bond | A | No SSE | 384 | ASN | ND2 | O9P | A | 2598 | 2.87 | H.Bond | A | No SSE | 385 | GLY | O | C7P | A | 2598 | 3.04 | van der Waals | A | No SSE | 385 | GLY | O | C6P | A | 2598 | 3.44 | van der Waals | A | No SSE | 386 | ILE | C | C6P | A | 2598 | 3.97 | van der Waals | A | No SSE | 386 | ILE | O | C7P | A | 2598 | 3.92 | van der Waals | A | No SSE | 386 | ILE | O | C6P | A | 2598 | 3.5 | van der Waals | A | No SSE | 386 | ILE | O | C5P | A | 2598 | 3.69 | van der Waals | A | No SSE | 386 | ILE | O | N4P | A | 2598 | 3.89 | H.Bond | A | 388-396 H: 1 | 388 | GLY | N | N4P | A | 2598 | 3.81 | H.Bond | A | 388-396 H: 1 | 388 | GLY | C | C3P | A | 2598 | 3.91 | van der Waals | A | 388-396 H: 1 | 389 | SER | N | N4P | A | 2598 | 3.71 | H.Bond | A | 388-396 H: 1 | 389 | SER | N | C3P | A | 2598 | 3.43 | H.Bond | A | 388-396 H: 1 | 389 | SER | CA | C3P | A | 2598 | 3.65 | van der Waals | A | 388-396 H: 1 | 389 | SER | CB | C5P | A | 2598 | 3.78 | van der Waals | A | 388-396 H: 1 | 389 | SER | CB | O5P | A | 2598 | 3.41 | van der Waals | A | 388-396 H: 1 | 389 | SER | CB | N4P | A | 2598 | 3.95 | H.Bond | A | 388-396 H: 1 | 389 | SER | CB | C3P | A | 2598 | 3.72 | van der Waals | A | 406-407 S: 0 | 407 | ALA | CB | C5A | A | 2598 | 3.56 | van der Waals | A | 406-407 S: 0 | 407 | ALA | CB | C6A | A | 2598 | 3.6 | van der Waals | A | 406-407 S: 0 | 407 | ALA | CB | N6A | A | 2598 | 3.93 | H.Bond | A | 406-407 S: 0 | 407 | ALA | CB | N7A | A | 2598 | 3.87 | H.Bond | A | No SSE | 408 | LYS | CD | O2B | A | 2598 | 3.97 | van der Waals | A | No SSE | 408 | LYS | CE | N3A | A | 2598 | 3.94 | H.Bond | A | No SSE | 408 | LYS | CE | O2B | A | 2598 | 3.28 | van der Waals | A | No SSE | 408 | LYS | CE | O2B | A | 2598 | 3.79 | van der Waals | A | No SSE | 408 | LYS | NZ | O2B | A | 2598 | 3.85 | H.Bond | A | No SSE | 408 | LYS | NZ | O8A | A | 2598 | 3.88 | H.Bond | A | 412-413 S: -1 | 412 | ILE | CG2 | N1A | A | 2598 | 3.69 | H.Bond | A | 412-413 S: -1 | 412 | ILE | CG2 | C6A | A | 2598 | 3.98 | van der Waals | A | 412-413 S: -1 | 412 | ILE | CG2 | N6A | A | 2598 | 3.63 | H.Bond | A | 412-413 S: -1 | 412 | ILE | CD1 | N1A | A | 2598 | 3.58 | H.Bond | A | 412-413 S: -1 | 412 | ILE | CD1 | C2A | A | 2598 | 3.63 | van der Waals | A | Water | 535 | HOH | O | C9P | A | 2598 | 3.61 | van der Waals | A | Water | 535 | HOH | O | O9P | A | 2598 | 2.75 | H.Bond | A | Water | 535 | HOH | O | C7P | A | 2598 | 3.85 | van der Waals | A | Water | 566 | HOH | O | N6A | A | 2598 | 2.98 | H.Bond | A | Water | 581 | HOH | O | N8P | A | 2598 | 3.68 | H.Bond | A | Water | 581 | HOH | O | C7P | A | 2598 | 3.93 | van der Waals | A | Water | 581 | HOH | O | C5P | A | 2598 | 3.96 | van der Waals | A | Water | 581 | HOH | O | O5P | A | 2598 | 2.91 | H.Bond | A | Water | 582 | HOH | O | O3A | A | 2598 | 3.94 | H.Bond | A | Water | 582 | HOH | O | O5A | A | 2598 | 3.41 | H.Bond | A | Water | 582 | HOH | O | CCP | A | 2598 | 3.85 | van der Waals | A | Water | 588 | HOH | O | N1A | A | 2598 | 2.93 | H.Bond | A | Water | 588 | HOH | O | C2A | A | 2598 | 3.77 | van der Waals | A | Water | 588 | HOH | O | C6A | A | 2598 | 3.68 | van der Waals | A | Water | 588 | HOH | O | N6A | A | 2598 | 3.64 | H.Bond | A | Water | 518 | HOH | O | C5P | A | 2598 | 3.84 | van der Waals | A | Water | 518 | HOH | O | N4P | A | 2598 | 2.75 | H.Bond | A | Water | 518 | HOH | O | C3P | A | 2598 | 3.53 | van der Waals | A | Water | 518 | HOH | O | C2P | A | 2598 | 3.76 | van der Waals | A | Water | 727 | HOH | O | N7A | A | 2598 | 3.42 | H.Bond | A | Water | 748 | HOH | O | OAP | A | 2598 | 3.85 | H.Bond | A | Water | 748 | HOH | O | C5P | A | 2598 | 3.56 | van der Waals | A | Water | 748 | HOH | O | O5P | A | 2598 | 2.76 | H.Bond | A | Water | 748 | HOH | O | N4P | A | 2598 | 3.99 | H.Bond | A | Water | 748 | HOH | O | C3P | A | 2598 | 3.69 | van der Waals | A | Water | 748 | HOH | O | C2P | A | 2598 | 3.95 | van der Waals | A | Water | 748 | HOH | O | S1P | A | 2598 | 3.55 | | A | Water | 755 | HOH | O | O5A | A | 2598 | 3.89 | H.Bond | A | Water | 774 | HOH | O | N7A | A | 2598 | 3.66 | H.Bond | A | Water | 774 | HOH | O | C8A | A | 2598 | 3.41 | van der Waals | A | Water | 774 | HOH | O | O5B | A | 2598 | 3.63 | H.Bond | A | Water | 774 | HOH | O | P1A | A | 2598 | 3.51 | | A | Water | 774 | HOH | O | O1A | A | 2598 | 3 | H.Bond | A | Water | 774 | HOH | O | O3A | A | 2598 | 3.27 | H.Bond | A | Water | 774 | HOH | O | CCP | A | 2598 | 3.81 | van der Waals | A | Water | 806 | HOH | O | C2A | A | 2598 | 3.55 | van der Waals | A | Water | 806 | HOH | O | N3A | A | 2598 | 2.93 | H.Bond | A | Water | 806 | HOH | O | C4A | A | 2598 | 3.97 | van der Waals | A | Water | 806 | HOH | O | C1B | A | 2598 | 3.99 | van der Waals | A | Water | 807 | HOH | O | N7A | A | 2598 | 3.92 | H.Bond | A | Water | 807 | HOH | O | C8A | A | 2598 | 3.65 | van der Waals | A | Water | 807 | HOH | O | O1A | A | 2598 | 2.76 | H.Bond | A | Water | 857 | HOH | O | C2B | A | 2598 | 3.37 | van der Waals | A | Water | 857 | HOH | O | O2B | A | 2598 | 2.74 | H.Bond | A | Water | 865 | HOH | O | O3A | A | 2598 | 3.85 | H.Bond | A | Water | 865 | HOH | O | P2A | A | 2598 | 3.98 | | A | Water | 865 | HOH | O | O4A | A | 2598 | 3.78 | H.Bond | A | Water | 865 | HOH | O | O5A | A | 2598 | 3.58 | H.Bond | A | Water | 942 | HOH | O | O5A | A | 2598 | 3.94 | H.Bond | A | Water | 517 | HOH | O | C2P | A | 2598 | 3.57 | van der Waals | A | Water | 517 | HOH | O | S1P | A | 2598 | 3.68 | | A | Water | 992 | HOH | O | O2A | A | 2598 | 3.45 | H.Bond | A | Water | 992 | HOH | O | O3A | A | 2598 | 3.77 | H.Bond | A | Water | 992 | HOH | O | P2A | A | 2598 | 3.69 | | A | Water | 992 | HOH | O | O4A | A | 2598 | 2.62 | H.Bond | A | Water | 1102 | HOH | O | P1A | A | 2598 | 3.46 | | A | Water | 1102 | HOH | O | O1A | A | 2598 | 3.03 | H.Bond | A | Water | 1102 | HOH | O | O3A | A | 2598 | 2.75 | H.Bond | A | Water | 1102 | HOH | O | P2A | A | 2598 | 3.85 | | A | Water | 1102 | HOH | O | O5A | A | 2598 | 3.73 | H.Bond | A | Water | 1167 | HOH | O | O1A | A | 2598 | 3.86 | H.Bond | A | Water | 1170 | HOH | O | S1P | A | 2598 | 3.71 | | A | Water | 1280 | HOH | O | P2A | A | 2598 | 3.6 | | A | Water | 1280 | HOH | O | O4A | A | 2598 | 2.6 | H.Bond | A | Water | 1280 | HOH | O | O5A | A | 2598 | 3.72 | H.Bond | A | Water | 1382 | HOH | O | P2A | A | 2598 | 3.48 | | A | Water | 1382 | HOH | O | O4A | A | 2598 | 3.61 | H.Bond | A | Water | 1382 | HOH | O | O5A | A | 2598 | 2.75 | H.Bond | A | Water | 1382 | HOH | O | O6A | A | 2598 | 3.64 | H.Bond | A | Water | 1382 | HOH | O | CAP | A | 2598 | 3.38 | van der Waals | A | Water | 1382 | HOH | O | OAP | A | 2598 | 2.7 | H.Bond | A | Water | 1398 | HOH | O | OAP | A | 2598 | 3.88 | H.Bond | A | Water | 1450 | HOH | O | O3B | A | 2598 | 3.94 | H.Bond | A | Water | 1450 | HOH | O | P3B | A | 2598 | 3.81 | | A | Water | 1450 | HOH | O | O7A | A | 2598 | 2.65 | H.Bond | A | Water | 1450 | HOH | O | C4B | A | 2598 | 3.81 | van der Waals | A | Water | 1482 | HOH | O | C5B | A | 2598 | 3.76 | van der Waals | A | Water | 1496 | HOH | O | O3B | A | 2598 | 3.51 | H.Bond | A | Water | 1496 | HOH | O | P3B | A | 2598 | 3.76 | | A | Water | 1496 | HOH | O | O8A | A | 2598 | 2.75 | H.Bond | A | Water | 1565 | HOH | O | P1A | A | 2598 | 3.7 | | A | Water | 1565 | HOH | O | O1A | A | 2598 | 3.83 | H.Bond | A | Water | 1565 | HOH | O | O2A | A | 2598 | 2.69 | H.Bond | |