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| ID of heme | Axial ligands on heme | Function & structure | ||
|---|---|---|---|---|
| 4xmh-A-201 |
sad. +0.43 ruf. +0.12 dom. -0.07 bre. -0.15 |
HIS | chainID: A, resSeq: 60, molecule: Nitrophorin-7 |
oxidoreductase oligomeric count: 2 pocket vol.: 513.0 Å3 d(Fe-oop): 0.025 Å |
| GLY | chainID: B, resSeq: 1, molecule: GLY-GLY-GLY |
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| 4xry-A-601 |
sad. -0.15 ruf. -0.21 dom. +0.09 bre. -0.23 |
CYS | chainID: A, resSeq: 443, molecule: Cytochrome P450 2D6 |
oxidoreductase oligomeric count: 1 pocket vol.: 392.0 Å3 d(Fe-oop): 0.030 Å |
| Not assigned. | ||||
| 4xry-B-601 |
sad. -0.22 ruf. -0.19 dom. +0.04 bre. -0.23 |
CYS | chainID: B, resSeq: 443, molecule: Cytochrome P450 2D6 |
oxidoreductase oligomeric count: 1 pocket vol.: 404.0 Å3 d(Fe-oop): 0.240 Å |
| HOH | chainID: B, resSeq: 726, molecule: water |
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| 4xry-C-601 |
sad. -0.18 ruf. -0.29 dom. +0.13 bre. -0.20 |
CYS | chainID: C, resSeq: 443, molecule: Cytochrome P450 2D6 |
oxidoreductase oligomeric count: 1 pocket vol.: 394.0 Å3 d(Fe-oop): 0.023 Å |
| Not assigned. | ||||
| 4xry-D-601 |
sad. -0.25 ruf. -0.21 dom. +0.04 bre. -0.20 |
CYS | chainID: D, resSeq: 443, molecule: Cytochrome P450 2D6 |
oxidoreductase oligomeric count: 1 pocket vol.: 399.0 Å3 d(Fe-oop): 0.193 Å |
| HOH | chainID: D, resSeq: 721, molecule: water |
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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 |
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| 4xs0-A-201 |
sad. +0.04 ruf. -0.02 dom. -0.01 bre. -0.24 |
HIS | chainID: A, resSeq: 87, molecule: Hemoglobin subunit alpha |
oxygen carrier oligomeric count: 3 pocket vol.: 516.0 Å3 d(Fe-oop): 0.005 Å |
| HOH | chainID: A, resSeq: 301, molecule: water |
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| 4xs0-B-201 |
sad. -0.01 ruf. -0.02 dom. -0.03 bre. -0.24 |
HIS | chainID: B, resSeq: 92, molecule: Hemoglobin subunit beta |
oxygen carrier oligomeric count: 3 pocket vol.: 520.0 Å3 d(Fe-oop): 0.010 Å |
| HOH | chainID: B, resSeq: 302, molecule: water |
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| 4xv4-A-301 |
sad. -0.59 ruf. +0.33 dom. +0.09 bre. -0.23 |
HIS | chainID: A, resSeq: 175, molecule: Cytochrome c peroxidase, mitochondrial |
oxidoreductase oligomeric count: 1 pocket vol.: 417.0 Å3 d(Fe-oop): 0.000 Å |
| HOH | chainID: A, resSeq: 491, molecule: water |
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| 4xv5-A-301 |
sad. -0.50 ruf. +0.27 dom. +0.13 bre. -0.01 |
HIS | chainID: A, resSeq: 175, molecule: Cytochrome c peroxidase, mitochondrial |
oxidoreductase oligomeric count: 1 pocket vol.: 415.0 Å3 d(Fe-oop): 0.053 Å |
| HOH | chainID: A, resSeq: 480, molecule: water |
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| 4xv6-A-301 |
sad. -0.63 ruf. +0.40 dom. +0.04 bre. -0.13 |
HIS | chainID: A, resSeq: 175, molecule: Cytochrome c peroxidase, mitochondrial |
oxidoreductase oligomeric count: 1 pocket vol.: 421.0 Å3 d(Fe-oop): 0.031 Å |
| HOH | chainID: A, resSeq: 460, molecule: water |
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| 4xv7-A-301 |
sad. -0.58 ruf. +0.16 dom. +0.04 bre. -0.14 |
HIS | chainID: A, resSeq: 175, molecule: Cytochrome c peroxidase, mitochondrial |
oxidoreductase oligomeric count: 1 pocket vol.: 418.0 Å3 d(Fe-oop): 0.029 Å |
| HOH | chainID: A, resSeq: 501, molecule: water |
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| 4xv8-A-301 |
sad. -0.57 ruf. +0.15 dom. +0.08 bre. -0.19 |
HIS | chainID: A, resSeq: 175, molecule: Cytochrome c peroxidase, mitochondrial |
oxidoreductase oligomeric count: 1 pocket vol.: 416.0 Å3 d(Fe-oop): 0.043 Å |
| HOH | chainID: A, resSeq: 459, molecule: water |
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| 4xva-A-1201 |
sad. -0.54 ruf. +0.35 dom. +0.21 bre. +0.34 |
HIS | chainID: A, resSeq: 175, molecule: Cytochrome c peroxidase, mitochondrial |
oxidoreductase oligomeric count: 1 pocket vol.: 434.0 Å3 d(Fe-oop): 0.046 Å |
| HOH | chainID: A, resSeq: 1343, molecule: water |
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| 4xva-C-1201 |
sad. -0.42 ruf. +0.29 dom. +0.21 bre. +0.22 |
HIS | chainID: C, resSeq: 175, molecule: Cytochrome c peroxidase, mitochondrial |
oxidoreductase oligomeric count: 1 pocket vol.: 425.0 Å3 d(Fe-oop): 0.009 Å |
| HOH | chainID: C, resSeq: 1375, molecule: water |
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| 4xva-E-1201 |
sad. -0.53 ruf. +0.49 dom. +0.38 bre. +0.35 |
HIS | chainID: E, resSeq: 175, molecule: Cytochrome c peroxidase, mitochondrial |
oxidoreductase oligomeric count: 1 pocket vol.: 442.0 Å3 d(Fe-oop): 0.019 Å |
| Not assigned. | ||||
| 4xva-G-1201 |
sad. -0.30 ruf. +0.33 dom. +0.27 bre. +0.26 |
HIS | chainID: G, resSeq: 175, molecule: Cytochrome c peroxidase, mitochondrial |
oxidoreductase oligomeric count: 1 pocket vol.: 450.0 Å3 d(Fe-oop): 0.019 Å |
| HOH | chainID: G, resSeq: 1309, molecule: water |
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