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PyDISH No: 10714

PDB: 5ek4,
chainID: B, resSeq: 501
heme type: B

distortion

Protein data

function: oxidoreductase
experiment: X-RAY DIFFRACTION
resolution: 2.64 Å

axial ligand #1: HIS

chainID: B,
resSeq: 346,
Coordination distance[Å]: 2.281
molecule: Indoleamine 2,3-dioxygenase 1
EC number: 1.13.11.52
Organism: Homo sapiens

axial ligand #2: 5PF

chainID: B,
resSeq: 502,
Coordination distance[Å]: 2.327
molecule: (1~{R})-1-cyclohexyl-2-[(5~{S})-6-fluoranyl-5~{H}-imidazo[1,5-b]isoindol-5-yl]ethanol

List of other hemes in pdb:5ek4

ID of heme Distortion Axial ligands on heme Function & structure
5ek4-A-501
sad. +0.34
ruf. +0.14
dom. -0.18
bre. -0.26
HIS chainID: A,
resSeq: 346,
molecule: Indoleamine 2,3-dioxygenase 1
oxidoreductase
oligomeric count: 1
pocket vol.: 487.0 Å3
d(Fe-oop): 0.036 Å
5PF chainID: A, resSeq: 502,
molecule: (1~{R})-1-cyclohexyl-2-[(5~{S})-6-fluoranyl-5~{H}-imidazo[1,5-b]isoindol-5-yl]ethanol