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PyDISH No: 12601

PDB: 6h1t,
chainID: D, resSeq: 501
heme type: B

distortion

Protein data

function: oxidoreductase
experiment: X-RAY DIFFRACTION
resolution: 2.08 Å

axial ligand #1: CYS

chainID: D,
resSeq: 400,
Coordination distance[Å]: 2.251
molecule: Bifunctional cytochrome P450/NADPH--P450 reductase
EC number: 1.14.14.1,1.6.2.4
Organism: Bacillus megaterium

axial ligand #2: CL6

chainID: D,
resSeq: 502,
Coordination distance[Å]: 1.987
molecule: 1-[(2-CHLOROPHENYL)(DIPHENYL)METHYL]-1H-IMIDAZOLE

List of other hemes in pdb:6h1t

ID of heme Distortion Axial ligands on heme Function & structure
6h1t-A-501
sad. -0.29
ruf. -0.46
dom. +0.07
bre. -0.02
CYS chainID: A,
resSeq: 400,
molecule: Bifunctional cytochrome P450/NADPH--P450 reductase
oxidoreductase
oligomeric count: 1
pocket vol.: 424.0 Å3
d(Fe-oop): 0.005 Å
CL6 chainID: A, resSeq: 502,
molecule: 1-[(2-CHLOROPHENYL)(DIPHENYL)METHYL]-1H-IMIDAZOLE
6h1t-B-501
sad. -0.26
ruf. -0.55
dom. +0.10
bre. -0.09
CYS chainID: B,
resSeq: 400,
molecule: Bifunctional cytochrome P450/NADPH--P450 reductase
oxidoreductase
oligomeric count: 1
pocket vol.: 445.0 Å3
d(Fe-oop): 0.024 Å
CL6 chainID: B, resSeq: 502,
molecule: 1-[(2-CHLOROPHENYL)(DIPHENYL)METHYL]-1H-IMIDAZOLE
6h1t-C-501
sad. -0.29
ruf. -0.43
dom. +0.19
bre. -0.07
CYS chainID: C,
resSeq: 400,
molecule: Bifunctional cytochrome P450/NADPH--P450 reductase
oxidoreductase
oligomeric count: 1
pocket vol.: 438.0 Å3
d(Fe-oop): 0.001 Å
CL6 chainID: C, resSeq: 502,
molecule: 1-[(2-CHLOROPHENYL)(DIPHENYL)METHYL]-1H-IMIDAZOLE