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PyDISH No: 10941

PDB: 5irq,
chainID: A, resSeq: 600
heme type: B

distortion

Protein data

function: oxidoreductase
experiment: X-RAY DIFFRACTION
resolution: 2.202 Å

axial ligand #1: CYS

chainID: A,
resSeq: 442,
Coordination distance[Å]: 2.829
molecule: Steroid 17-alpha-hydroxylase/17,20 lyase
EC number: 1.14.14.19, 4.1.2.30
Organism: Homo sapiens

axial ligand #2: 6D7

chainID: A,
resSeq: 601,
Coordination distance[Å]: 2.461
molecule: (R)-orteronel

List of other hemes in pdb:5irq

ID of heme	Distortion	Axial ligands on heme		Function & structure
5irq-B-600	`sad. -0.07 ruf. +0.31 dom. -0.04 bre. -0.22`	CYS	chainID: B, resSeq: 442, molecule: Steroid 17-alpha-hydroxylase/17,20 lyase	oxidoreductase oligomeric count: 1 pocket vol.: 426.0 Å³ d(Fe-oop): 0.110 Å
5irq-B-600	`sad. -0.07 ruf. +0.31 dom. -0.04 bre. -0.22`	6D7	chainID: B, resSeq: 601, molecule: (R)-orteronel
5irq-C-600	`sad. +0.03 ruf. +0.39 dom. -0.09 bre. -0.20`	CYS	chainID: C, resSeq: 442, molecule: Steroid 17-alpha-hydroxylase/17,20 lyase	oxidoreductase oligomeric count: 1 pocket vol.: 429.0 Å³ d(Fe-oop): 0.056 Å
5irq-C-600	`sad. +0.03 ruf. +0.39 dom. -0.09 bre. -0.20`	7D6	chainID: C, resSeq: 601, molecule: (S)-orteronel
5irq-D-602	`sad. +0.05 ruf. +0.08 dom. -0.04 bre. -0.23`	CYS	chainID: D, resSeq: 442, molecule: Steroid 17-alpha-hydroxylase/17,20 lyase	oxidoreductase oligomeric count: 1 pocket vol.: 428.0 Å³ d(Fe-oop): 0.135 Å
5irq-D-602	`sad. +0.05 ruf. +0.08 dom. -0.04 bre. -0.23`	7D6	chainID: D, resSeq: 601, molecule: (S)-orteronel