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ID of heme | Axial ligands on heme | Function & structure | ||
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4xrz-A-601 |
sad. +0.03 ruf. -0.26 dom. +0.03 bre. -0.22 |
CYS | chainID: A, resSeq: 443, molecule: Cytochrome P450 2D6 |
oxidoreductase oligomeric count: 1 pocket vol.: 382.0 Å3 d(Fe-oop): 0.050 Å |
SI6 | chainID: A, resSeq: 602, molecule: (4aR,6R,8aS)-8a-(2,4-difluorophenyl)-6-(1H-pyrazol-4-yl)-4,4a,5,6,8,8a-hexahydropyrano[3,4-d][1,3]thiazin-2-amine |
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4xrz-B-601 |
sad. +0.08 ruf. -0.15 dom. +0.01 bre. -0.21 |
CYS | chainID: B, resSeq: 443, molecule: Cytochrome P450 2D6 |
oxidoreductase oligomeric count: 1 pocket vol.: 373.0 Å3 d(Fe-oop): 0.015 Å |
SI6 | chainID: B, resSeq: 602, molecule: (4aR,6R,8aS)-8a-(2,4-difluorophenyl)-6-(1H-pyrazol-4-yl)-4,4a,5,6,8,8a-hexahydropyrano[3,4-d][1,3]thiazin-2-amine |
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4xrz-C-601 |
sad. +0.02 ruf. -0.27 dom. +0.07 bre. -0.21 |
CYS | chainID: C, resSeq: 443, molecule: Cytochrome P450 2D6 |
oxidoreductase oligomeric count: 1 pocket vol.: 395.0 Å3 d(Fe-oop): 0.016 Å |
SI6 | chainID: C, resSeq: 602, molecule: (4aR,6R,8aS)-8a-(2,4-difluorophenyl)-6-(1H-pyrazol-4-yl)-4,4a,5,6,8,8a-hexahydropyrano[3,4-d][1,3]thiazin-2-amine |
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4xrz-D-601 |
sad. +0.02 ruf. -0.25 dom. -0.06 bre. -0.22 |
CYS | chainID: D, resSeq: 443, molecule: Cytochrome P450 2D6 |
oxidoreductase oligomeric count: 1 pocket vol.: 389.0 Å3 d(Fe-oop): 0.029 Å |
SI6 | chainID: D, resSeq: 602, molecule: (4aR,6R,8aS)-8a-(2,4-difluorophenyl)-6-(1H-pyrazol-4-yl)-4,4a,5,6,8,8a-hexahydropyrano[3,4-d][1,3]thiazin-2-amine |