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PyDISH No: 12389

PDB: 6e41,
chainID: C, resSeq: 501
heme type: B

distortion

Protein data

function: oxidoreductase
experiment: X-RAY DIFFRACTION
resolution: 2.291 Å

axial ligand #1: HIS

chainID: C,
resSeq: 346,
Coordination distance[Å]: 2.119
molecule: Indoleamine 2,3-dioxygenase 1
EC number: 1.13.11.52
Organism: Homo sapiens

axial ligand #2: HQS

chainID: C,
resSeq: 502,
Coordination distance[Å]: 1.783
molecule: N-(3-bromo-4-fluorophenyl)-N'-hydroxy-4-{[2-(sulfamoylamino)ethyl]sulfanyl}-1,2,5-oxadiazole-3-carboximidamide

List of other hemes in pdb:6e41

ID of heme	Distortion	Axial ligands on heme		Function & structure
6e41-A-501	`sad. +0.30 ruf. +0.61 dom. +0.08 bre. -0.19`	HIS	chainID: A, resSeq: 346, molecule: Indoleamine 2,3-dioxygenase 1	oxidoreductase oligomeric count: 1 pocket vol.: 532.0 Å³ d(Fe-oop): 0.042 Å
6e41-A-501	`sad. +0.30 ruf. +0.61 dom. +0.08 bre. -0.19`	HQS	chainID: A, resSeq: 502, molecule: N-(3-bromo-4-fluorophenyl)-N'-hydroxy-4-{[2-(sulfamoylamino)ethyl]sulfanyl}-1,2,5-oxadiazole-3-carboximidamide
6e41-B-501	`sad. +0.38 ruf. +0.68 dom. +0.01 bre. -0.11`	HIS	chainID: B, resSeq: 346, molecule: Indoleamine 2,3-dioxygenase 1	oxidoreductase oligomeric count: 1 pocket vol.: 532.0 Å³ d(Fe-oop): 0.080 Å
6e41-B-501	`sad. +0.38 ruf. +0.68 dom. +0.01 bre. -0.11`	HQS	chainID: B, resSeq: 502, molecule: N-(3-bromo-4-fluorophenyl)-N'-hydroxy-4-{[2-(sulfamoylamino)ethyl]sulfanyl}-1,2,5-oxadiazole-3-carboximidamide
6e41-D-501	`sad. +0.32 ruf. +0.75 dom. +0.00 bre. -0.11`	HIS	chainID: D, resSeq: 346, molecule: Indoleamine 2,3-dioxygenase 1	oxidoreductase oligomeric count: 1 pocket vol.: 535.0 Å³ d(Fe-oop): 0.061 Å
6e41-D-501	`sad. +0.32 ruf. +0.75 dom. +0.00 bre. -0.11`	HQS	chainID: D, resSeq: 502, molecule: N-(3-bromo-4-fluorophenyl)-N'-hydroxy-4-{[2-(sulfamoylamino)ethyl]sulfanyl}-1,2,5-oxadiazole-3-carboximidamide