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PyDISH No: 10045

PDB: 4uyl,
chainID: B, resSeq: 580
heme type: B

distortion

Protein data

function: oxidoreductase
experiment: X-RAY DIFFRACTION
resolution: 2.81 Å

axial ligand #1: CYS

chainID: B,
resSeq: 463,
Coordination distance[Å]: 2.203
molecule: 14-ALPHA STEROL DEMETHYLASE
EC number: 1.14.13.70
Organism: ASPERGILLUS FUMIGATUS

axial ligand #2: VNI

chainID: B,
resSeq: 590,
Coordination distance[Å]: 2.028
molecule: N-[(1R)-1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide

List of other hemes in pdb:4uyl

ID of heme Distortion Axial ligands on heme Function & structure
4uyl-A-580
sad. +0.06
ruf. -0.39
dom. -0.05
bre. +0.38
CYS chainID: A,
resSeq: 463,
molecule: 14-ALPHA STEROL DEMETHYLASE
oxidoreductase
oligomeric count: 1
pocket vol.: 468.0 Å3
d(Fe-oop): 0.029 Å
VNI chainID: A, resSeq: 590,
molecule: N-[(1R)-1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide