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PyDISH No: 07084

PDB: 3ruk,
chainID: C, resSeq: 600
heme type: B

distortion

Protein data

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

axial ligand #1: CYS

chainID: C,
resSeq: 442,
Coordination distance[Å]: 2.013
molecule: Steroid 17-alpha-hydroxylase/17,20 lyase
EC number: 1.14.99.9
Organism: Homo sapiens

axial ligand #2: AER

chainID: C,
resSeq: 601,
Coordination distance[Å]: 2.27
molecule: Abiraterone

List of other hemes in pdb:3ruk

ID of heme Distortion Axial ligands on heme Function & structure
3ruk-A-600
sad. -0.32
ruf. +0.22
dom. -0.15
bre. -0.18
CYS chainID: A,
resSeq: 442,
molecule: Steroid 17-alpha-hydroxylase/17,20 lyase
oxidoreductase
oligomeric count: 1
pocket vol.: 407.0 Å3
d(Fe-oop): 0.034 Å
AER chainID: A, resSeq: 601,
molecule: Abiraterone
3ruk-B-600
sad. -0.24
ruf. +0.22
dom. -0.18
bre. -0.39
CYS chainID: B,
resSeq: 442,
molecule: Steroid 17-alpha-hydroxylase/17,20 lyase
oxidoreductase
oligomeric count: 1
pocket vol.: 400.0 Å3
d(Fe-oop): 0.011 Å
AER chainID: B, resSeq: 601,
molecule: Abiraterone
3ruk-D-600
sad. -0.21
ruf. +0.38
dom. -0.00
bre. -0.20
CYS chainID: D,
resSeq: 442,
molecule: Steroid 17-alpha-hydroxylase/17,20 lyase
oxidoreductase
oligomeric count: 1
pocket vol.: 417.0 Å3
d(Fe-oop): 0.030 Å
AER chainID: D, resSeq: 601,
molecule: Abiraterone