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PyDISH No: 14346

PDB: 6ww0,
chainID: B, resSeq: 600
heme type: B

distortion

Protein data

function: oxidoreductase
experiment: X-RAY DIFFRACTION
resolution: 2.01 Å

axial ligand #1: CYS

chainID: B,
resSeq: 442,
Coordination distance[Å]: 2.49
molecule: Steroid 17-alpha-hydroxylase/17,20 lyase
EC number: 1.14.14.19,1.14.14.32
Organism: Homo sapiens

axial ligand #2: UDJ

chainID: B,
resSeq: 601,
Coordination distance[Å]: 2.325
molecule: (5alpha,8alpha)-17-(pyridin-3-yl)androst-16-en-3-one

List of other hemes in pdb:6ww0

ID of heme Distortion Axial ligands on heme Function & structure
6ww0-A-600
sad. -0.17
ruf. +0.33
dom. -0.15
bre. -0.08
CYS chainID: A,
resSeq: 442,
molecule: Steroid 17-alpha-hydroxylase/17,20 lyase
oxidoreductase
oligomeric count: 1
pocket vol.: 402.0 Å3
d(Fe-oop): 0.041 Å
UDJ chainID: A, resSeq: 601,
molecule: (5alpha,8alpha)-17-(pyridin-3-yl)androst-16-en-3-one
6ww0-C-600
sad. -0.11
ruf. +0.49
dom. -0.08
bre. -0.03
CYS chainID: C,
resSeq: 442,
molecule: Steroid 17-alpha-hydroxylase/17,20 lyase
oxidoreductase
oligomeric count: 1
pocket vol.: 408.0 Å3
d(Fe-oop): 0.017 Å
UDJ chainID: C, resSeq: 601,
molecule: (5alpha,8alpha)-17-(pyridin-3-yl)androst-16-en-3-one
6ww0-D-601
sad. -0.12
ruf. +0.49
dom. -0.05
bre. -0.05
CYS chainID: D,
resSeq: 442,
molecule: Steroid 17-alpha-hydroxylase/17,20 lyase
oxidoreductase
oligomeric count: 1
pocket vol.: 411.0 Å3
d(Fe-oop): 0.006 Å
UDJ chainID: D, resSeq: 602,
molecule: (5alpha,8alpha)-17-(pyridin-3-yl)androst-16-en-3-one