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PyDISH No: 15165

PDB: 7kvh,
chainID: B, resSeq: 601
heme type: B

distortion

Protein data

function: oxidoreductase
experiment: X-RAY DIFFRACTION
resolution: 2.791 Å

axial ligand #1: CYS

chainID: B,
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: X5Y

chainID: B,
resSeq: 602,
Coordination distance[Å]: 2.196
molecule: tert-butyl [(2S)-1-{[(2R)-1-oxo-3-phenyl-1-{[3-(pyridin-3-yl)propyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate

List of other hemes in pdb:7kvh

ID of heme Distortion Axial ligands on heme Function & structure
7kvh-A-601
sad. -0.32
ruf. +0.06
dom. +0.29
bre. -0.21
CYS chainID: A,
resSeq: 442,
molecule: Cytochrome P450 3A4
oxidoreductase
oligomeric count: 2
pocket vol.: 382.0 Å3
d(Fe-oop): 0.003 Å
X5Y chainID: A, resSeq: 602,
molecule: tert-butyl [(2S)-1-{[(2R)-1-oxo-3-phenyl-1-{[3-(pyridin-3-yl)propyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate