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PyDISH No: 12251

PDB: 6cr2,
chainID: A, resSeq: 601
heme type: B

distortion

Protein data

function: oxidoreductase
experiment: X-RAY DIFFRACTION
resolution: 2.38 Å

axial ligand #1: CYS

chainID: A,
resSeq: 463,
Coordination distance[Å]: 2.327
molecule: 14-alpha sterol demethylase Cyp51B
EC number: 1.14.13.70
Organism: Aspergillus fumigatus

axial ligand #2: LFV

chainID: A,
resSeq: 602,
Coordination distance[Å]: 2.021
molecule: N-[(1R)-1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)ethyl]-4-{5-[2-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]-1,3,4-oxadiazol-2-yl}benzamide

List of other hemes in pdb:6cr2

ID of heme	Distortion	Axial ligands on heme		Function & structure
6cr2-B-601	`sad. +0.01 ruf. -0.37 dom. +0.13 bre. +0.02`	CYS	chainID: B, resSeq: 463, molecule: 14-alpha sterol demethylase Cyp51B	oxidoreductase oligomeric count: 1 pocket vol.: 460.0 Å³ d(Fe-oop): 0.020 Å
6cr2-B-601	`sad. +0.01 ruf. -0.37 dom. +0.13 bre. +0.02`	LFV	chainID: B, resSeq: 602, molecule: N-[(1R)-1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)ethyl]-4-{5-[2-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]-1,3,4-oxadiazol-2-yl}benzamide