Browser
| ID of heme | Axial ligands on heme | Function & structure | ||
|---|---|---|---|---|
| 7ud8-C-202 |
sad. +0.30 ruf. -0.04 dom. -0.29 bre. -0.12 |
HIS | chainID: C, resSeq: 87, molecule: Hemoglobin subunit alpha |
oxygen carrier oligomeric count: 4 pocket vol.: 528.0 Å3 d(Fe-oop): 0.050 Å |
| OXY | chainID: C, resSeq: 201, molecule: OXYGEN MOLECULE |
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| 7ud8-D-202 |
sad. +0.23 ruf. -0.21 dom. -0.23 bre. -0.13 |
HIS | chainID: D, resSeq: 92, molecule: Hemoglobin subunit beta |
oxygen carrier oligomeric count: 4 pocket vol.: 564.0 Å3 d(Fe-oop): 0.041 Å |
| OXY | chainID: D, resSeq: 201, molecule: OXYGEN MOLECULE |
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| 7udf-A-501 |
sad. -0.34 ruf. -0.64 dom. -0.00 bre. -0.16 |
CYS | chainID: A, resSeq: 358, molecule: Cytochrome P450 |
oxidoreductase oligomeric count: 1 pocket vol.: 410.0 Å3 d(Fe-oop): 0.291 Å |
| Not assigned. | ||||
| 7uf6-A-201 |
sad. +0.22 ruf. -0.25 dom. -0.28 bre. -0.28 |
HIS | chainID: A, resSeq: 87, molecule: Hemoglobin subunit alpha |
oxygen carrier oligomeric count: 4 pocket vol.: 518.0 Å3 d(Fe-oop): 0.093 Å |
| CMO | chainID: A, resSeq: 202, molecule: CARBON MONOXIDE |
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| 7uf6-B-201 |
sad. +0.24 ruf. -0.40 dom. -0.20 bre. -0.34 |
HIS | chainID: B, resSeq: 92, molecule: Hemoglobin subunit beta |
oxygen carrier oligomeric count: 4 pocket vol.: 568.0 Å3 d(Fe-oop): 0.079 Å |
| CMO | chainID: B, resSeq: 202, molecule: CARBON MONOXIDE |
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| 7uf6-C-201 |
sad. +0.28 ruf. -0.01 dom. -0.33 bre. -0.28 |
HIS | chainID: C, resSeq: 87, molecule: Hemoglobin subunit alpha |
oxygen carrier oligomeric count: 4 pocket vol.: 540.0 Å3 d(Fe-oop): 0.084 Å |
| CMO | chainID: C, resSeq: 202, molecule: CARBON MONOXIDE |
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| 7uf6-D-201 |
sad. +0.21 ruf. -0.24 dom. -0.22 bre. -0.26 |
HIS | chainID: D, resSeq: 92, molecule: Hemoglobin subunit beta |
oxygen carrier oligomeric count: 4 pocket vol.: 536.0 Å3 d(Fe-oop): 0.098 Å |
| CMO | chainID: D, resSeq: 202, molecule: CARBON MONOXIDE |
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| 7uf7-A-201 |
sad. +0.26 ruf. -0.30 dom. -0.26 bre. -0.33 |
HIS | chainID: A, resSeq: 87, molecule: Hemoglobin subunit alpha |
oxygen carrier oligomeric count: 4 pocket vol.: 526.0 Å3 d(Fe-oop): 0.080 Å |
| CMO | chainID: A, resSeq: 202, molecule: CARBON MONOXIDE |
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| 7uf7-B-201 |
sad. +0.24 ruf. -0.33 dom. -0.25 bre. -0.34 |
HIS | chainID: B, resSeq: 92, molecule: Hemoglobin subunit beta |
oxygen carrier oligomeric count: 4 pocket vol.: 551.0 Å3 d(Fe-oop): 0.106 Å |
| CMO | chainID: B, resSeq: 202, molecule: CARBON MONOXIDE |
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| 7uf7-C-201 |
sad. +0.29 ruf. -0.06 dom. -0.25 bre. -0.31 |
HIS | chainID: C, resSeq: 87, molecule: Hemoglobin subunit alpha |
oxygen carrier oligomeric count: 4 pocket vol.: 546.0 Å3 d(Fe-oop): 0.032 Å |
| CMO | chainID: C, resSeq: 202, molecule: CARBON MONOXIDE |
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| 7uf7-D-201 |
sad. +0.30 ruf. -0.22 dom. -0.19 bre. -0.32 |
HIS | chainID: D, resSeq: 92, molecule: Hemoglobin subunit beta |
oxygen carrier oligomeric count: 4 pocket vol.: 555.0 Å3 d(Fe-oop): 0.089 Å |
| CMO | chainID: D, resSeq: 202, molecule: CARBON MONOXIDE |
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| 7uf9-A-601 |
sad. -0.09 ruf. +0.34 dom. +0.05 bre. -0.21 |
CYS | chainID: A, resSeq: 442, molecule: Cytochrome P450 3A4 |
oxidoreductase oligomeric count: 2 pocket vol.: 417.0 Å3 d(Fe-oop): 0.173 Å |
| NH0 | chainID: A, resSeq: 602, molecule: tert-butyl [(2S)-1-{[(2R)-1-oxo-3-phenyl-1-{[2-(pyridin-4-yl)ethyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate |
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| 7ufa-A-601 |
sad. -0.26 ruf. +0.33 dom. +0.08 bre. -0.21 |
CYS | chainID: A, resSeq: 442, molecule: Cytochrome P450 3A4 |
oxidoreductase oligomeric count: 2 pocket vol.: 419.0 Å3 d(Fe-oop): 0.135 Å |
| NI6 | chainID: A, resSeq: 602, molecule: tert-butyl [(2S)-1-{[(2R)-1-oxo-3-phenyl-1-{[3-(pyridin-4-yl)propyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate |
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| 7ufb-A-601 |
sad. -0.20 ruf. +0.33 dom. +0.11 bre. -0.20 |
CYS | chainID: A, resSeq: 442, molecule: Cytochrome P450 3A4 |
oxidoreductase oligomeric count: 2 pocket vol.: 441.0 Å3 d(Fe-oop): 0.024 Å |
| NJ0 | chainID: A, resSeq: 602, molecule: (2R)-3-phenyl-2-({(2S)-3-phenyl-2-[2-(pyridin-3-yl)acetamido]propyl}sulfanyl)-N-[(pyridin-3-yl)methyl]propanamide |
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| 7ufc-A-601 |
sad. -0.06 ruf. +0.39 dom. -0.00 bre. -0.24 |
CYS | chainID: A, resSeq: 442, molecule: Cytochrome P450 3A4 |
oxidoreductase oligomeric count: 2 pocket vol.: 442.0 Å3 d(Fe-oop): 0.051 Å |
| NJO | chainID: A, resSeq: 602, molecule: (2R)-3-phenyl-2-({(2S)-3-phenyl-2-[3-(pyridin-3-yl)propanamido]propyl}sulfanyl)-N-[2-(pyridin-3-yl)ethyl]propanamide |
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| 7ufd-A-601 |
sad. -0.29 ruf. +0.46 dom. +0.10 bre. -0.13 |
CYS | chainID: A, resSeq: 442, molecule: Cytochrome P450 3A4 |
oxidoreductase oligomeric count: 2 pocket vol.: 417.0 Å3 d(Fe-oop): 0.040 Å |
| T0K | chainID: A, resSeq: 602, molecule: (2S)-3-phenyl-2-({(2S)-3-phenyl-2-[3-(pyridin-3-yl)propanamido]propyl}sulfanyl)-N-[2-(pyridin-3-yl)ethyl]propanamide |
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| 7ufe-A-601 |
sad. -0.15 ruf. +0.15 dom. +0.18 bre. -0.22 |
CYS | chainID: A, resSeq: 442, molecule: Cytochrome P450 3A4 |
oxidoreductase oligomeric count: 2 pocket vol.: 388.0 Å3 d(Fe-oop): 0.015 Å |
| NXR | chainID: A, resSeq: 604, molecule: N-[(2S)-1-{[(2R)-1-oxo-3-phenyl-1-{[3-(pyridin-3-yl)propyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]pyridine-3-carboxamide |
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| 7ufe-B-601 |
sad. -0.16 ruf. +0.14 dom. +0.16 bre. -0.23 |
CYS | chainID: B, resSeq: 442, molecule: Cytochrome P450 3A4 |
oxidoreductase oligomeric count: 2 pocket vol.: 421.0 Å3 d(Fe-oop): 0.004 Å |
| NXR | chainID: B, resSeq: 603, molecule: N-[(2S)-1-{[(2R)-1-oxo-3-phenyl-1-{[3-(pyridin-3-yl)propyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]pyridine-3-carboxamide |
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| 7uff-A-601 |
sad. -0.16 ruf. +0.13 dom. +0.23 bre. -0.22 |
CYS | chainID: A, resSeq: 442, molecule: Cytochrome P450 3A4 |
oxidoreductase oligomeric count: 2 pocket vol.: 405.0 Å3 d(Fe-oop): 0.058 Å |
| NYF | chainID: A, resSeq: 603, molecule: N-(2-oxo-2-{[(2S)-1-{[(2R)-1-oxo-3-phenyl-1-{[3-(pyridin-3-yl)propyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]amino}ethyl)pyridine-3-carboxamide |
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| 7uff-B-601 |
sad. -0.17 ruf. +0.14 dom. +0.21 bre. -0.23 |
CYS | chainID: B, resSeq: 442, molecule: Cytochrome P450 3A4 |
oxidoreductase oligomeric count: 2 pocket vol.: 417.0 Å3 d(Fe-oop): 0.076 Å |
| NYF | chainID: B, resSeq: 602, molecule: N-(2-oxo-2-{[(2S)-1-{[(2R)-1-oxo-3-phenyl-1-{[3-(pyridin-3-yl)propyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]amino}ethyl)pyridine-3-carboxamide |
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