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PyDISH No: 10945

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

distortion

Protein data

function: oxidoreductase
experiment: X-RAY DIFFRACTION
resolution: 3.098 Å

axial ligand #1: CYS

chainID: A,
resSeq: 442,
Coordination distance[Å]: 2.742
molecule: Steroid 17-alpha-hydroxylase/17,20 lyase
EC number: 1.14.14.19, 4.1.2.30
Organism: Homo sapiens

axial ligand #2: 6D8

chainID: A,
resSeq: 601,
Coordination distance[Å]: 2.231
molecule: VT-464

List of other hemes in pdb:5irv

ID of heme Distortion Axial ligands on heme Function & structure
5irv-B-600
sad. -0.04
ruf. +0.06
dom. +0.03
bre. -0.16
CYS chainID: B,
resSeq: 442,
molecule: Steroid 17-alpha-hydroxylase/17,20 lyase
oxidoreductase
oligomeric count: 1
pocket vol.: 449.0 Å3
d(Fe-oop): 0.078 Å
6D8 chainID: B, resSeq: 601,
molecule: VT-464
5irv-C-600
sad. -0.07
ruf. -0.07
dom. +0.01
bre. -0.13
CYS chainID: C,
resSeq: 442,
molecule: Steroid 17-alpha-hydroxylase/17,20 lyase
oxidoreductase
oligomeric count: 1
pocket vol.: 445.0 Å3
d(Fe-oop): 0.045 Å
6D8 chainID: C, resSeq: 601,
molecule: VT-464
5irv-D-600
sad. -0.11
ruf. -0.12
dom. -0.05
bre. -0.19
CYS chainID: D,
resSeq: 442,
molecule: Steroid 17-alpha-hydroxylase/17,20 lyase
oxidoreductase
oligomeric count: 1
pocket vol.: 443.0 Å3
d(Fe-oop): 0.136 Å
6D8 chainID: D, resSeq: 601,
molecule: VT-464