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PyDISH No: 11518

PDB: 5tz1,
chainID: B, resSeq: 601
heme type: B

distortion

Protein data

function: oxidoreductase
experiment: X-RAY DIFFRACTION
resolution: 2.0 Å

axial ligand #1: CYS

chainID: B,
resSeq: 470,
Coordination distance[Å]: 2.385
molecule: Sterol 14-alpha demethylase
EC number: 1.14.13.70
Organism: Candida albicans

axial ligand #2: VT1

chainID: B,
resSeq: 602,
Coordination distance[Å]: 2.196
molecule: (R)-2-(2,4-Difluorophenyl)-1,1-difluoro-3-(1H-tetrazol-1-yl)-1-(5-(4-(2,2,2-trifluoroethoxy)phenyl)pyridin-2-yl)propan-2-ol

List of other hemes in pdb:5tz1

ID of heme Distortion Axial ligands on heme Function & structure
5tz1-A-601
sad. +0.04
ruf. -0.28
dom. +0.24
bre. +0.15
CYS chainID: A,
resSeq: 470,
molecule: Sterol 14-alpha demethylase
oxidoreductase
oligomeric count: 1
pocket vol.: 441.0 Å3
d(Fe-oop): 0.044 Å
VT1 chainID: A, resSeq: 602,
molecule: (R)-2-(2,4-Difluorophenyl)-1,1-difluoro-3-(1H-tetrazol-1-yl)-1-(5-(4-(2,2,2-trifluoroethoxy)phenyl)pyridin-2-yl)propan-2-ol