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Protein data
function: oxidoreductaseexperiment: X-RAY DIFFRACTION
resolution: 1.9 Å
axial ligand #1: CYS
chainID: A,resSeq: 345,
Coordination distance[Å]: 2.277
molecule: Cytochrome P450 121
EC number: 1.14.-.-
Organism: Mycobacterium tuberculosis
axial ligand #2: TPF
chainID: A,resSeq: 2472,
Coordination distance[Å]: 2.313
molecule: 2-(2,4-DIFLUOROPHENYL)-1,3-DI(1H-1,2,4-TRIAZOL-1-YL)PROPAN-2-OL
List of other hemes in pdb:2ij7
| ID of heme | Distortion | Axial ligands on heme | Function & structure | |
|---|---|---|---|---|
2ij7-B-462 |
sad. -0.57 ruf. -0.62 dom. +0.06 bre. -0.21 |
CYS | chainID: B, resSeq: 345, molecule: Cytochrome P450 121 |
oxidoreductase oligomeric count: 1 pocket vol.: 461.0 Å3 d(Fe-oop): 0.047 Å |
| HOH | chainID: B, resSeq: 2834, molecule: water |
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2ij7-C-462 |
sad. -0.45 ruf. -0.57 dom. +0.03 bre. -0.10 |
CYS | chainID: C, resSeq: 345, molecule: Cytochrome P450 121 |
oxidoreductase oligomeric count: 1 pocket vol.: 457.0 Å3 d(Fe-oop): 0.075 Å |
| HOH | chainID: C, resSeq: 2494, molecule: water |
|||
2ij7-D-462 |
sad. -0.37 ruf. -0.68 dom. +0.00 bre. -0.15 |
TPF | chainID: D, resSeq: 2473, molecule: 2-(2,4-DIFLUOROPHENYL)-1,3-DI(1H-1,2,4-TRIAZOL-1-YL)PROPAN-2-OL |
oxidoreductase oligomeric count: 1 pocket vol.: 450.0 Å3 d(Fe-oop): 0.025 Å |
| HOH | chainID: D, resSeq: 2748, molecule: water |
|||
2ij7-E-462 |
sad. -0.43 ruf. -0.67 dom. -0.08 bre. -0.14 |
CYS | chainID: E, resSeq: 345, molecule: Cytochrome P450 121 |
oxidoreductase oligomeric count: 1 pocket vol.: 423.0 Å3 d(Fe-oop): 0.217 Å |
| HOH | chainID: E, resSeq: 849, molecule: water |
|||
2ij7-F-462 |
sad. -0.47 ruf. -0.57 dom. +0.01 bre. -0.11 |
CYS | chainID: F, resSeq: 345, molecule: Cytochrome P450 121 |
oxidoreductase oligomeric count: 1 pocket vol.: 449.0 Å3 d(Fe-oop): 0.118 Å |
| TPF | chainID: F, resSeq: 2474, molecule: 2-(2,4-DIFLUOROPHENYL)-1,3-DI(1H-1,2,4-TRIAZOL-1-YL)PROPAN-2-OL |
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