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PyDISH No: 11499

PDB: 5ti9,
chainID: A, resSeq: 402
heme type: B

distortion

Protein data

function: oxidoreductase
experiment: X-RAY DIFFRACTION
resolution: 2.5 Å
origomeric count: 4

axial ligand #1: HIS

chainID: A,
resSeq: 328,
Coordination distance[Å]: 2.291
molecule: Tryptophan 2,3-dioxygenase
EC number: 1.13.11.11
Organism: Homo sapiens

axial ligand #2: OXY

chainID: A,
resSeq: 401,
Coordination distance[Å]: 1.769
molecule: OXYGEN MOLECULE

List of other hemes in pdb:5ti9

ID of heme Distortion Axial ligands on heme Function & structure
5ti9-B-402
sad. +0.02
ruf. -0.29
dom. +0.06
bre. -0.29
HIS chainID: B,
resSeq: 328,
molecule: Tryptophan 2,3-dioxygenase
oxidoreductase
oligomeric count: 4
pocket vol.: 413.0 Å3
d(Fe-oop): 0.137 Å
OXY chainID: B, resSeq: 401,
molecule: OXYGEN MOLECULE
5ti9-C-401
sad. +0.04
ruf. -0.23
dom. +0.01
bre. -0.30
HIS chainID: C,
resSeq: 328,
molecule: Tryptophan 2,3-dioxygenase
oxidoreductase
oligomeric count: 4
pocket vol.: 421.0 Å3
d(Fe-oop): 0.024 Å
NFK chainID: C, resSeq: 402,
molecule: N'-Formylkynurenine
5ti9-D-401
sad. +0.09
ruf. -0.46
dom. +0.08
bre. -0.20
HIS chainID: D,
resSeq: 328,
molecule: Tryptophan 2,3-dioxygenase
oxidoreductase
oligomeric count: 4
pocket vol.: 450.0 Å3
d(Fe-oop): 0.146 Å
NFK chainID: D, resSeq: 402,
molecule: N'-Formylkynurenine