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| ID of heme | Axial ligands on heme | Function & structure | ||
|---|---|---|---|---|
| 38fw-A-601 |
sad. -0.43 ruf. +0.21 dom. -0.07 bre. -0.14 |
CYS | chainID: A, resSeq: 442, molecule: Cytochrome P450 3A4 |
oxidoreductase oligomeric count: 3 pocket vol.: 458.0 Å3 d(Fe-oop): 0.002 Å |
| KKK | chainID: A, resSeq: 603, molecule: 1-acetyl-4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazine |
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| 38fw-B-601 |
sad. -0.43 ruf. +0.21 dom. -0.07 bre. -0.14 |
CYS | chainID: B, resSeq: 442, molecule: Cytochrome P450 3A4 |
oxidoreductase oligomeric count: 3 pocket vol.: 470.0 Å3 d(Fe-oop): 0.002 Å |
| KKK | chainID: B, resSeq: 603, molecule: 1-acetyl-4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazine |
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| 38fw-C-601 |
sad. -0.43 ruf. +0.21 dom. -0.07 bre. -0.14 |
CYS | chainID: C, resSeq: 442, molecule: Cytochrome P450 3A4 |
oxidoreductase oligomeric count: 3 pocket vol.: 466.0 Å3 d(Fe-oop): 0.002 Å |
| KKK | chainID: C, resSeq: 603, molecule: 1-acetyl-4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazine |
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