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PyDISH No: 16069

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

distortion

Protein data

function: oxidoreductase
experiment: X-RAY DIFFRACTION
resolution: 2.7 Å

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: NYF

chainID: A,
resSeq: 603,
Coordination distance[Å]: 2.207
molecule: N-(2-oxo-2-{[(2S)-1-{[(2R)-1-oxo-3-phenyl-1-{[3-(pyridin-3-yl)propyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]amino}ethyl)pyridine-3-carboxamide

List of other hemes in pdb:7uff

ID of heme	Distortion	Axial ligands on heme		Function & structure
7uff-B-601	`sad. -0.17 ruf. +0.14 dom. +0.21 bre. -0.23`	CYS	chainID: B, resSeq: 442, molecule: Cytochrome P450 3A4	oxidoreductase oligomeric count: 2 pocket vol.: 417.0 Å³ d(Fe-oop): 0.076 Å
7uff-B-601	`sad. -0.17 ruf. +0.14 dom. +0.21 bre. -0.23`	NYF	chainID: B, resSeq: 602, molecule: N-(2-oxo-2-{[(2S)-1-{[(2R)-1-oxo-3-phenyl-1-{[3-(pyridin-3-yl)propyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]amino}ethyl)pyridine-3-carboxamide