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PyDISH No: 12061

PDB: 6a4i,
chainID: B, resSeq: 401
heme type: B

distortion

Protein data

function: oxidoreductase
experiment: X-RAY DIFFRACTION
resolution: 2.65 Å
origomeric count: 4

axial ligand #1: HIS

chainID: B,
resSeq: 328,
Coordination distance[Å]: 1.874
molecule: Tryptophan 2,3-dioxygenase
EC number: 1.13.11.11
Organism: Homo sapiens

axial ligand #2: 9R9

chainID: B,
resSeq: 402,
Coordination distance[Å]: 2.054
molecule: 1-(6-chloro-1H-indazol-4-yl)cyclohexan-1-ol

List of other hemes in pdb:6a4i

ID of heme	Distortion	Axial ligands on heme		Function & structure
6a4i-A-401	`sad. -0.19 ruf. -0.22 dom. +0.12 bre. -0.10`	HIS	chainID: A, resSeq: 328, molecule: Tryptophan 2,3-dioxygenase	oxidoreductase oligomeric count: 4 pocket vol.: 454.0 Å³ d(Fe-oop): 0.000 Å
6a4i-A-401	`sad. -0.19 ruf. -0.22 dom. +0.12 bre. -0.10`	9R9	chainID: A, resSeq: 402, molecule: 1-(6-chloro-1H-indazol-4-yl)cyclohexan-1-ol
6a4i-C-401	`sad. -0.30 ruf. -0.83 dom. +0.24 bre. +0.09`	HIS	chainID: C, resSeq: 328, molecule: Tryptophan 2,3-dioxygenase	oxidoreductase oligomeric count: 4 pocket vol.: 442.0 Å³ d(Fe-oop): 0.009 Å
6a4i-C-401	`sad. -0.30 ruf. -0.83 dom. +0.24 bre. +0.09`	9R9	chainID: C, resSeq: 402, molecule: 1-(6-chloro-1H-indazol-4-yl)cyclohexan-1-ol
6a4i-D-401	`sad. -0.07 ruf. -0.30 dom. +0.36 bre. -0.05`	HIS	chainID: D, resSeq: 328, molecule: Tryptophan 2,3-dioxygenase	oxidoreductase oligomeric count: 4 pocket vol.: 515.0 Å³ d(Fe-oop): 0.005 Å
6a4i-D-401	`sad. -0.07 ruf. -0.30 dom. +0.36 bre. -0.05`	9R9	chainID: D, resSeq: 402, molecule: 1-(6-chloro-1H-indazol-4-yl)cyclohexan-1-ol