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PyDISH No: 15609

PDB: 7qwn,
chainID: B, resSeq: 502
heme type: B

distortion

Protein data

function: oxidoreductase
experiment: X-RAY DIFFRACTION
resolution: 1.93 Å
origomeric count: 1

axial ligand #1: CYS

chainID: B,
resSeq: 377,
Coordination distance[Å]: 2.342
molecule: Steroid C26-monooxygenase
EC number: 1.14.15.29
Organism: Mycobacterium tuberculosis H37Rv

axial ligand #2: DQE

chainID: B,
resSeq: 501,
Coordination distance[Å]: 2.591
molecule: ethyl 5-pyridin-4-yl-1~{H}-indole-2-carboxylate

List of other hemes in pdb:7qwn

ID of heme Distortion Axial ligands on heme Function & structure
7qwn-A-502
sad. -0.24
ruf. -0.45
dom. -0.15
bre. -0.03
CYS chainID: A,
resSeq: 377,
molecule: Steroid C26-monooxygenase
oxidoreductase
oligomeric count: 1
pocket vol.: 375.0 Å3
d(Fe-oop): 0.180 Å
HOH chainID: A, resSeq: 654,
molecule: water
7qwn-C-502
sad. -0.34
ruf. -0.68
dom. +0.02
bre. -0.12
CYS chainID: C,
resSeq: 377,
molecule: Steroid C26-monooxygenase
oxidoreductase
oligomeric count: 1
pocket vol.: 389.0 Å3
d(Fe-oop): 0.100 Å
DQE chainID: C, resSeq: 501,
molecule: ethyl 5-pyridin-4-yl-1~{H}-indole-2-carboxylate