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PyDISH No: 14201

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

distortion

Protein data

function: oxidoreductase
experiment: X-RAY DIFFRACTION
resolution: 2.83 Å

axial ligand #1: CYS

chainID: A,
resSeq: 442,
Coordination distance[Å]: 2.51
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: QDP

chainID: A,
resSeq: 602,
Coordination distance[Å]: 2.301
molecule: tert-butyl [(2S)-1-(naphthalen-1-yl)-3-{[(2S)-3-(naphthalen-1-yl)-1-oxo-1-{(E)-[2-(pyridin-3-yl)ethylidene]amino}propan-2-yl]sulfanyl}propan-2-yl]carbamate

List of other hemes in pdb:6unm

ID of heme Distortion Axial ligands on heme Function & structure
6unm-B-601
sad. +0.02
ruf. -0.12
dom. +0.10
bre. -0.18
CYS chainID: B,
resSeq: 442,
molecule: Cytochrome P450 3A4
oxidoreductase
oligomeric count: 2
pocket vol.: 430.0 Å3
d(Fe-oop): 0.084 Å
Not assigned.