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PyDISH No: 17906

PDB: 8s4m,
chainID: A, resSeq: 501
heme type: B

distortion

Protein data

function: oxidoreductase
experiment: X-RAY DIFFRACTION
resolution: 2.1 Å
origomeric count: 1

axial ligand #1: CYS

chainID: A,
resSeq: 377,
Coordination distance[Å]: 2.339
molecule: Steroid C26-monooxygenase
EC number: 1.14.15.29
Organism: Mycobacterium tuberculosis H37Rv

axial ligand #2: HOH

chainID: A,
resSeq: 609,
Coordination distance[Å]: 2.908
molecule: water

List of other hemes in pdb:8s4m

ID of heme Distortion Axial ligands on heme Function & structure
8s4m-B-501
sad. -0.18
ruf. -0.33
dom. -0.14
bre. -0.19
CYS chainID: B,
resSeq: 377,
molecule: Steroid C26-monooxygenase
oxidoreductase
oligomeric count: 1
pocket vol.: 355.0 Å3
d(Fe-oop): 0.189 Å
Not assigned.
8s4m-C-501
sad. +0.01
ruf. -0.67
dom. -0.13
bre. -0.14
CYS chainID: C,
resSeq: 377,
molecule: Steroid C26-monooxygenase
oxidoreductase
oligomeric count: 1
pocket vol.: 415.0 Å3
d(Fe-oop): 0.046 Å
A1H47 chainID: C, resSeq: 502,
molecule: ~{N}-(1~{H}-indol-5-ylmethyl)-3-(pyridin-4-ylamino)benzamide