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PyDISH No: 12597

PDB: 6h1s,
chainID: B, resSeq: 502
heme type: B

distortion

Protein data

function: oxidoreductase
experiment: X-RAY DIFFRACTION
resolution: 1.95 Å

axial ligand #1: CYS

chainID: B,
resSeq: 400,
Coordination distance[Å]: 2.237
molecule: Bifunctional cytochrome P450/NADPH--P450 reductase
EC number: 1.14.14.1,1.6.2.4
Organism: Bacillus megaterium

axial ligand #2: TPF

chainID: B,
resSeq: 501,
Coordination distance[Å]: 2.134
molecule: 2-(2,4-DIFLUOROPHENYL)-1,3-DI(1H-1,2,4-TRIAZOL-1-YL)PROPAN-2-OL

List of other hemes in pdb:6h1s

ID of heme Distortion Axial ligands on heme Function & structure
6h1s-A-502
sad. -0.27
ruf. -0.52
dom. +0.01
bre. -0.03
CYS chainID: A,
resSeq: 400,
molecule: Bifunctional cytochrome P450/NADPH--P450 reductase
oxidoreductase
oligomeric count: 1
pocket vol.: 446.0 Å3
d(Fe-oop): 0.023 Å
TPF chainID: A, resSeq: 501,
molecule: 2-(2,4-DIFLUOROPHENYL)-1,3-DI(1H-1,2,4-TRIAZOL-1-YL)PROPAN-2-OL