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PyDISH No: 12384

PDB: 6e40,
chainID: B, resSeq: 501
heme type: B

distortion

Protein data

function: oxidoreductase
experiment: X-RAY DIFFRACTION
resolution: 2.306 Å

axial ligand #1: HIS

chainID: B,
resSeq: 346,
Coordination distance[Å]: 1.966
molecule: Indoleamine 2,3-dioxygenase 1
EC number: 1.13.11.52
Organism: Homo sapiens

axial ligand #2: BBJ

chainID: B,
resSeq: 502,
Coordination distance[Å]: 1.794
molecule: N-(3-bromo-4-fluorophenyl)-N'-hydroxy-4-{[2-(sulfamoylamino)ethyl]amino}-1,2,5-oxadiazole-3-carboximidamide

List of other hemes in pdb:6e40

ID of heme	Distortion	Axial ligands on heme		Function & structure
6e40-A-501	`sad. +0.30 ruf. +0.36 dom. -0.07 bre. -0.25`	HIS	chainID: A, resSeq: 346, molecule: Indoleamine 2,3-dioxygenase 1	oxidoreductase oligomeric count: 1 pocket vol.: 499.0 Å³ d(Fe-oop): 0.039 Å
6e40-A-501	`sad. +0.30 ruf. +0.36 dom. -0.07 bre. -0.25`	BBJ	chainID: A, resSeq: 502, molecule: N-(3-bromo-4-fluorophenyl)-N'-hydroxy-4-{[2-(sulfamoylamino)ethyl]amino}-1,2,5-oxadiazole-3-carboximidamide
6e40-C-501	`sad. +0.41 ruf. +0.49 dom. -0.06 bre. -0.22`	HIS	chainID: C, resSeq: 346, molecule: Indoleamine 2,3-dioxygenase 1	oxidoreductase oligomeric count: 1 pocket vol.: 518.0 Å³ d(Fe-oop): 0.264 Å
6e40-C-501	`sad. +0.41 ruf. +0.49 dom. -0.06 bre. -0.22`	Not assigned.
6e40-D-501	`sad. +0.17 ruf. +0.46 dom. +0.04 bre. -0.10`	HIS	chainID: D, resSeq: 346, molecule: Indoleamine 2,3-dioxygenase 1	oxidoreductase oligomeric count: 1 pocket vol.: 513.0 Å³ d(Fe-oop): 0.123 Å
6e40-D-501	`sad. +0.17 ruf. +0.46 dom. +0.04 bre. -0.10`	BBJ	chainID: D, resSeq: 502, molecule: N-(3-bromo-4-fluorophenyl)-N'-hydroxy-4-{[2-(sulfamoylamino)ethyl]amino}-1,2,5-oxadiazole-3-carboximidamide