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PyDISH No: 12235

PDB: 6cir,
chainID: A, resSeq: 600
heme type: B

distortion

Protein data

function: oxidoreductase
experiment: X-RAY DIFFRACTION
resolution: 2.648 Å

axial ligand #1: CYS

chainID: A,
resSeq: 442,
Coordination distance[Å]: 2.783
molecule: Steroid 17-alpha-hydroxylase/17,20 lyase
EC number: 1.14.14.19,1.14.14.32
Organism: Homo sapiens

axial ligand #2: 3NQ

chainID: A,
resSeq: 601,
Coordination distance[Å]: 2.524
molecule: 6-oxime-17-(3-pyridyl)-androst-16-en-3-ol

List of other hemes in pdb:6cir

ID of heme Distortion Axial ligands on heme Function & structure
6cir-B-600
sad. -0.19
ruf. +0.48
dom. -0.03
bre. -0.14
CYS chainID: B,
resSeq: 442,
molecule: Steroid 17-alpha-hydroxylase/17,20 lyase
oxidoreductase
oligomeric count: 1
pocket vol.: 446.0 Å3
d(Fe-oop): 0.028 Å
3NQ chainID: B, resSeq: 601,
molecule: 6-oxime-17-(3-pyridyl)-androst-16-en-3-ol
6cir-C-600
sad. -0.16
ruf. +0.40
dom. +0.00
bre. -0.20
CYS chainID: C,
resSeq: 442,
molecule: Steroid 17-alpha-hydroxylase/17,20 lyase
oxidoreductase
oligomeric count: 1
pocket vol.: 448.0 Å3
d(Fe-oop): 0.055 Å
3NQ chainID: C, resSeq: 601,
molecule: 6-oxime-17-(3-pyridyl)-androst-16-en-3-ol
6cir-D-600
sad. -0.07
ruf. +0.36
dom. -0.13
bre. -0.20
CYS chainID: D,
resSeq: 442,
molecule: Steroid 17-alpha-hydroxylase/17,20 lyase
oxidoreductase
oligomeric count: 1
pocket vol.: 451.0 Å3
d(Fe-oop): 0.048 Å
3NQ chainID: D, resSeq: 601,
molecule: 6-oxime-17-(3-pyridyl)-androst-16-en-3-ol