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PyDISH No: 13853

PDB: 6pu7,
chainID: A, resSeq: 501
heme type: B

distortion

Protein data

function: oxidoreductase
experiment: X-RAY DIFFRACTION
resolution: 2.43 Å

axial ligand #1: HIS

chainID: A,
resSeq: 346,
Coordination distance[Å]: 2.23
molecule: Indoleamine 2,3-dioxygenase 1
EC number: 1.13.11.52
Organism: Homo sapiens

axial ligand #2: OY4

chainID: A,
resSeq: 502,
Coordination distance[Å]: 2.405
molecule: N-{2-[(4-{N-[(7S)-4-fluorobicyclo[4.2.0]octa-1,3,5-trien-7-yl]-N'-hydroxycarbamimidoyl}-1,2,5-oxadiazol-3-yl)sulfanyl]ethyl}acetamide

List of other hemes in pdb:6pu7

ID of heme Distortion Axial ligands on heme Function & structure
6pu7-B-501
sad. +0.30
ruf. +0.33
dom. -0.14
bre. -0.22
HIS chainID: B,
resSeq: 346,
molecule: Indoleamine 2,3-dioxygenase 1
oxidoreductase
oligomeric count: 1
pocket vol.: 521.0 Å3
d(Fe-oop): 0.061 Å
OY4 chainID: B, resSeq: 502,
molecule: N-{2-[(4-{N-[(7S)-4-fluorobicyclo[4.2.0]octa-1,3,5-trien-7-yl]-N'-hydroxycarbamimidoyl}-1,2,5-oxadiazol-3-yl)sulfanyl]ethyl}acetamide