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PyDISH No: 14198

PDB: 6unj,
chainID: B, resSeq: 601
heme type: B

distortion

Protein data

function: oxidoreductase
experiment: X-RAY DIFFRACTION
resolution: 2.6 Å

axial ligand #1: CYS

chainID: B,
resSeq: 442,
Coordination distance[Å]: 2.913
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: QDY

chainID: B,
resSeq: 602,
Coordination distance[Å]: 2.835
molecule: tert-butyl [(2R)-1-(naphthalen-1-yl)-3-{[(2S)-1-oxo-3-phenyl-1-{[2-(pyridin-3-yl)ethyl]amino}propan-2-yl]sulfanyl}propan-2-yl]carbamate

List of other hemes in pdb:6unj

ID of heme	Distortion	Axial ligands on heme		Function & structure
6unj-A-601	`sad. -0.15 ruf. +0.19 dom. +0.11 bre. -0.18`	CYS	chainID: A, resSeq: 442, molecule: Cytochrome P450 3A4	oxidoreductase oligomeric count: 2 pocket vol.: 412.0 Å³ d(Fe-oop): 0.035 Å
6unj-A-601	`sad. -0.15 ruf. +0.19 dom. +0.11 bre. -0.18`	QDY	chainID: A, resSeq: 602, molecule: tert-butyl [(2R)-1-(naphthalen-1-yl)-3-{[(2S)-1-oxo-3-phenyl-1-{[2-(pyridin-3-yl)ethyl]amino}propan-2-yl]sulfanyl}propan-2-yl]carbamate