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PyDISH No: 15170

PDB: 7kvn,
chainID: A, resSeq: 601
heme type: B

distortion

Protein data

function: oxidoreductase
experiment: X-RAY DIFFRACTION
resolution: 2.7 Å
origomeric count: 2

axial ligand #1: CYS

chainID: A,
resSeq: 442,
Coordination distance[Å]: 2.402
molecule: Cytochrome P450 3A4
EC number: 1.14.14.1,1.14.14.56,1.14.14.73,1.14.14.55
Organism: Homo sapiens

axial ligand #2: X6V

chainID: A,
resSeq: 602,
Coordination distance[Å]: 2.08
molecule: tert-butyl [(2S)-1-(1H-indol-3-yl)-3-{[(2R)-1-oxo-3-phenyl-1-{[3-(pyridin-3-yl)propyl]amino}propan-2-yl]sulfanyl}propan-2-yl]carbamate

List of other hemes in pdb:7kvn

ID of heme Distortion Axial ligands on heme Function & structure
7kvn-B-601
sad. -0.19
ruf. +0.18
dom. +0.18
bre. -0.21
CYS chainID: B,
resSeq: 442,
molecule: Cytochrome P450 3A4
oxidoreductase
oligomeric count: 2
pocket vol.: 420.0 Å3
d(Fe-oop): 0.182 Å
X6V chainID: B, resSeq: 602,
molecule: tert-butyl [(2S)-1-(1H-indol-3-yl)-3-{[(2R)-1-oxo-3-phenyl-1-{[3-(pyridin-3-yl)propyl]amino}propan-2-yl]sulfanyl}propan-2-yl]carbamate