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| ID of heme | Axial ligands on heme | Function & structure | ||
|---|---|---|---|---|
| 9buh-Ak-601 |
sad. -0.09 ruf. +0.96 dom. +0.24 bre. +0.06 |
HIS | chainID: Ak, resSeq: 61, molecule: Cytochrome c oxidase subunit 1 |
electron transporter oligomeric count: 80 pocket vol.: 660.0 Å3 d(Fe-oop): 0.107 Å |
| HIS | chainID: Ak, resSeq: 378, molecule: Cytochrome c oxidase subunit 1 |
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| 9buh-Ak-602 |
sad. -0.14 ruf. -0.15 dom. +0.32 bre. -0.04 |
HIS | chainID: Ak, resSeq: 376, molecule: Cytochrome c oxidase subunit 1 |
electron transporter oligomeric count: 80 pocket vol.: 729.0 Å3 d(Fe-oop): 0.130 Å |
| Not assigned. | ||||
| 9buh-7-401 |
sad. -0.05 ruf. -0.48 dom. -0.31 bre. -0.15 |
HIS | chainID: 7, resSeq: 83, molecule: Cytochrome b |
electron transporter oligomeric count: 80 pocket vol.: 399.0 Å3 d(Fe-oop): 0.331 Å |
| HIS | chainID: 7, resSeq: 182, molecule: Cytochrome b |
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| 9buh-7-402 |
sad. -0.67 ruf. -0.78 dom. +0.15 bre. -0.06 |
HIS | chainID: 7, resSeq: 97, molecule: Cytochrome b |
electron transporter oligomeric count: 80 pocket vol.: 412.0 Å3 d(Fe-oop): 0.075 Å |
| HIS | chainID: 7, resSeq: 196, molecule: Cytochrome b |
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| 9buh-8-401 |
sad. -0.28 ruf. -0.77 dom. +0.14 bre. -0.19 |
HIS | chainID: 8, resSeq: 126, molecule: Cytochrome c1 |
electron transporter oligomeric count: 80 pocket vol.: 431.0 Å3 d(Fe-oop): 0.068 Å |
| MET | chainID: 8, resSeq: 245, molecule: Cytochrome c1 |
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| 9buh-w-401 |
sad. -0.72 ruf. -0.69 dom. +0.10 bre. -0.08 |
HIS | chainID: w, resSeq: 97, molecule: Cytochrome b |
electron transporter oligomeric count: 80 pocket vol.: 421.0 Å3 d(Fe-oop): 0.050 Å |
| HIS | chainID: w, resSeq: 196, molecule: Cytochrome b |
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| 9buh-w-402 |
sad. +0.06 ruf. -0.51 dom. -0.12 bre. -0.08 |
HIS | chainID: w, resSeq: 83, molecule: Cytochrome b |
electron transporter oligomeric count: 80 pocket vol.: 433.0 Å3 d(Fe-oop): 0.401 Å |
| HIS | chainID: w, resSeq: 182, molecule: Cytochrome b |
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| 9buh-x-401 |
sad. -0.20 ruf. -0.20 dom. +0.26 bre. -0.24 |
HIS | chainID: x, resSeq: 126, molecule: Cytochrome c1 |
electron transporter oligomeric count: 80 pocket vol.: 425.0 Å3 d(Fe-oop): 0.147 Å |
| MET | chainID: x, resSeq: 245, molecule: Cytochrome c1 |
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| 9bv5-A-601 |
sad. -0.00 ruf. +0.31 dom. -0.11 bre. -0.20 |
CYS | chainID: A, resSeq: 442, molecule: Cytochrome P450 3A4 |
oxidoreductase oligomeric count: 1 pocket vol.: 419.0 Å3 d(Fe-oop): 0.047 Å |
| A1ASV | chainID: A, resSeq: 602, molecule: N-[(2P)-2-(1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide |
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| 9bv6-A-601 |
sad. -0.01 ruf. +0.27 dom. -0.11 bre. -0.19 |
CYS | chainID: A, resSeq: 442, molecule: Cytochrome P450 3A4 |
oxidoreductase oligomeric count: 1 pocket vol.: 422.0 Å3 d(Fe-oop): 0.050 Å |
| A1ASU | chainID: A, resSeq: 602, molecule: 5-(4-methoxyphenyl)-1-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1H-1,2,3-triazole |
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| 9bv7-A-601 |
sad. -0.02 ruf. +0.29 dom. +0.09 bre. -0.22 |
CYS | chainID: A, resSeq: 442, molecule: Cytochrome P450 3A4 |
oxidoreductase oligomeric count: 1 pocket vol.: 454.0 Å3 d(Fe-oop): 0.046 Å |
| A1AST | chainID: A, resSeq: 602, molecule: 3-(2-chlorophenyl)-N-{[(2S,7M)-7-(pyridin-3-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl}propanamide |
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| 9bv8-A-601 |
sad. -0.01 ruf. +0.24 dom. -0.05 bre. -0.19 |
CYS | chainID: A, resSeq: 442, molecule: Cytochrome P450 3A4 |
oxidoreductase oligomeric count: 1 pocket vol.: 434.0 Å3 d(Fe-oop): 0.033 Å |
| A1ASS | chainID: A, resSeq: 602, molecule: N-[(2P)-2-(1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl]cyclobutanecarboxamide |
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| 9bv9-A-601 |
sad. -0.01 ruf. +0.41 dom. -0.05 bre. -0.22 |
CYS | chainID: A, resSeq: 442, molecule: Cytochrome P450 3A4 |
oxidoreductase oligomeric count: 1 pocket vol.: 441.0 Å3 d(Fe-oop): 0.032 Å |
| A1ASR | chainID: A, resSeq: 602, molecule: N-(2-chlorophenyl)-N'-[(2P)-2-(1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl]urea |
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| 9bva-A-601 |
sad. +0.02 ruf. +0.10 dom. +0.11 bre. -0.19 |
CYS | chainID: A, resSeq: 442, molecule: Cytochrome P450 3A4 |
oxidoreductase oligomeric count: 1 pocket vol.: 423.0 Å3 d(Fe-oop): 0.048 Å |
| A1ASQ | chainID: A, resSeq: 602, molecule: N-[2-(2-chloroethyl)phenyl]-N'-[(2P)-2-(1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl]urea |
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| 9bvb-A-601 |
sad. +0.01 ruf. +0.54 dom. -0.17 bre. -0.18 |
CYS | chainID: A, resSeq: 442, molecule: Cytochrome P450 3A4 |
oxidoreductase oligomeric count: 1 pocket vol.: 432.0 Å3 d(Fe-oop): 0.065 Å |
| A1ASP | chainID: A, resSeq: 602, molecule: 2-(2-chlorophenyl)-N-[(2P)-2-(1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl]acetamide |
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| 9bvc-A-601 |
sad. -0.06 ruf. +0.49 dom. -0.13 bre. -0.20 |
CYS | chainID: A, resSeq: 442, molecule: Cytochrome P450 3A4 |
oxidoreductase oligomeric count: 1 pocket vol.: 463.0 Å3 d(Fe-oop): 0.048 Å |
| A1ASO | chainID: A, resSeq: 602, molecule: N-(2-chlorophenyl)-N-[(3-hydroxyphenyl)methyl]-N'-[(2P)-2-(1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl]urea |
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| 9bw8-A-403 |
sad. -0.44 ruf. +0.40 dom. -0.06 bre. +0.05 |
CYS | chainID: A, resSeq: 344, molecule: Cytochrome P450-SU1 |
oxidoreductase oligomeric count: 1 pocket vol.: 471.0 Å3 d(Fe-oop): 0.187 Å |
| HOH | chainID: A, resSeq: 580, molecule: water |
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| 9bw8-B-403 |
sad. -0.39 ruf. -0.50 dom. +0.06 bre. -0.08 |
CYS | chainID: B, resSeq: 344, molecule: Cytochrome P450-SU1 |
oxidoreductase oligomeric count: 1 pocket vol.: 446.0 Å3 d(Fe-oop): 0.123 Å |
| HOH | chainID: B, resSeq: 597, molecule: water |
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| 9bw8-C-402 |
sad. -0.49 ruf. +0.47 dom. -0.13 bre. +0.04 |
CYS | chainID: C, resSeq: 344, molecule: Cytochrome P450-SU1 |
oxidoreductase oligomeric count: 2 pocket vol.: 438.0 Å3 d(Fe-oop): 0.198 Å |
| HOH | chainID: E, resSeq: 101, molecule: water |
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| 9c1y-A-801 |
sad. -0.44 ruf. -0.50 dom. +0.42 bre. -0.24 |
CYS | chainID: A, resSeq: 420, molecule: Nitric oxide synthase, brain |
oxidoreductase oligomeric count: 2 pocket vol.: 521.0 Å3 d(Fe-oop): 0.426 Å |
| Not assigned. | ||||