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PyDISH No: 09999

PDB: 4uhi,
chainID: C, resSeq: 540
heme type: B

distortion

Protein data

function: oxidoreductase
experiment: X-RAY DIFFRACTION
resolution: 2.04 Å

axial ligand #1: CYS

chainID: C,
resSeq: 449,
Coordination distance[Å]: 2.217
molecule: STEROL 14-ALPHA DEMETHYLASE
EC number: 1.14.13.70
Organism: HOMO SAPIENS

axial ligand #2: VFV

chainID: C,
resSeq: 580,
Coordination distance[Å]: 2.069
molecule: N-[(1R)-1-(3,4'-difluorobiphenyl-4-yl)-2-(1H-imidazol-1-yl)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide

List of other hemes in pdb:4uhi

ID of heme Distortion Axial ligands on heme Function & structure
4uhi-A-540
sad. -0.17
ruf. -0.29
dom. +0.12
bre. +0.10
CYS chainID: A,
resSeq: 449,
molecule: STEROL 14-ALPHA DEMETHYLASE
oxidoreductase
oligomeric count: 4
pocket vol.: 440.0 Å3
d(Fe-oop): 0.036 Å
VFV chainID: A, resSeq: 580,
molecule: N-[(1R)-1-(3,4'-difluorobiphenyl-4-yl)-2-(1H-imidazol-1-yl)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
4uhi-B-540
sad. -0.16
ruf. -0.25
dom. +0.18
bre. +0.10
CYS chainID: B,
resSeq: 449,
molecule: STEROL 14-ALPHA DEMETHYLASE
oxidoreductase
oligomeric count: 4
pocket vol.: 420.0 Å3
d(Fe-oop): 0.064 Å
VFV chainID: B, resSeq: 580,
molecule: N-[(1R)-1-(3,4'-difluorobiphenyl-4-yl)-2-(1H-imidazol-1-yl)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
4uhi-D-540
sad. -0.06
ruf. -0.15
dom. +0.08
bre. +0.08
CYS chainID: D,
resSeq: 449,
molecule: STEROL 14-ALPHA DEMETHYLASE
oxidoreductase
oligomeric count: 4
pocket vol.: 435.0 Å3
d(Fe-oop): 0.012 Å
VFV chainID: D, resSeq: 580,
molecule: N-[(1R)-1-(3,4'-difluorobiphenyl-4-yl)-2-(1H-imidazol-1-yl)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide