Browser
Protein data
function: oxidoreductaseexperiment: X-RAY DIFFRACTION
resolution: 2.29 Å
origomeric count: 1
axial ligand #1: CYS
chainID: C,resSeq: 434,
Coordination distance[Å]: 2.262
molecule: sterol 14a-demethylase
EC number: 1.14.13.70
Organism: Acanthamoeba castellanii
axial ligand #2: VT1
chainID: C,resSeq: 502,
Coordination distance[Å]: 2.218
molecule: (R)-2-(2,4-Difluorophenyl)-1,1-difluoro-3-(1H-tetrazol-1-yl)-1-(5-(4-(2,2,2-trifluoroethoxy)phenyl)pyridin-2-yl)propan-2-ol
List of other hemes in pdb:8ekt
| ID of heme | Distortion | Axial ligands on heme | Function & structure | |
|---|---|---|---|---|
8ekt-A-501 |
sad. -0.05 ruf. -0.21 dom. -0.06 bre. +0.02 |
CYS | chainID: A, resSeq: 434, molecule: sterol 14a-demethylase |
oxidoreductase oligomeric count: 1 pocket vol.: 459.0 Å3 d(Fe-oop): 0.050 Å |
| VT1 | chainID: A, resSeq: 502, molecule: (R)-2-(2,4-Difluorophenyl)-1,1-difluoro-3-(1H-tetrazol-1-yl)-1-(5-(4-(2,2,2-trifluoroethoxy)phenyl)pyridin-2-yl)propan-2-ol |
|||
8ekt-B-501 |
sad. +0.00 ruf. -0.17 dom. -0.03 bre. +0.08 |
CYS | chainID: B, resSeq: 434, molecule: sterol 14a-demethylase |
oxidoreductase oligomeric count: 1 pocket vol.: 457.0 Å3 d(Fe-oop): 0.025 Å |
| VT1 | chainID: B, resSeq: 502, molecule: (R)-2-(2,4-Difluorophenyl)-1,1-difluoro-3-(1H-tetrazol-1-yl)-1-(5-(4-(2,2,2-trifluoroethoxy)phenyl)pyridin-2-yl)propan-2-ol |
|||
8ekt-D-501 |
sad. +0.17 ruf. -0.33 dom. -0.17 bre. -0.01 |
CYS | chainID: D, resSeq: 434, molecule: sterol 14a-demethylase |
oxidoreductase oligomeric count: 1 pocket vol.: 449.0 Å3 d(Fe-oop): 0.025 Å |
| VT1 | chainID: D, resSeq: 502, molecule: (R)-2-(2,4-Difluorophenyl)-1,1-difluoro-3-(1H-tetrazol-1-yl)-1-(5-(4-(2,2,2-trifluoroethoxy)phenyl)pyridin-2-yl)propan-2-ol |
|||
8ekt-E-501 |
sad. +0.04 ruf. -0.48 dom. -0.05 bre. +0.06 |
CYS | chainID: E, resSeq: 434, molecule: sterol 14a-demethylase |
oxidoreductase oligomeric count: 1 pocket vol.: 472.0 Å3 d(Fe-oop): 0.017 Å |
| VT1 | chainID: E, resSeq: 502, molecule: (R)-2-(2,4-Difluorophenyl)-1,1-difluoro-3-(1H-tetrazol-1-yl)-1-(5-(4-(2,2,2-trifluoroethoxy)phenyl)pyridin-2-yl)propan-2-ol |
|||
8ekt-F-501 |
sad. +0.10 ruf. -0.39 dom. -0.14 bre. +0.08 |
CYS | chainID: F, resSeq: 434, molecule: sterol 14a-demethylase |
oxidoreductase oligomeric count: 1 pocket vol.: 448.0 Å3 d(Fe-oop): 0.029 Å |
| VT1 | chainID: F, resSeq: 502, molecule: (R)-2-(2,4-Difluorophenyl)-1,1-difluoro-3-(1H-tetrazol-1-yl)-1-(5-(4-(2,2,2-trifluoroethoxy)phenyl)pyridin-2-yl)propan-2-ol |
|||