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PyDISH No: 18630

PDB: 9esd,
chainID: D, resSeq: 401
heme type: B

distortion

Protein data

function: oxidoreductase
experiment: X-RAY DIFFRACTION
resolution: 2.103 Å
origomeric count: 4

axial ligand #1: HIS

chainID: D,
resSeq: 312,
Coordination distance[Å]: 2.103
molecule: Tryptophan 2,3-dioxygenase
EC number: 1.13.11.11
Organism: Drosophila melanogaster

axial ligand #2: 5PK

chainID: D,
resSeq: 402,
Coordination distance[Å]: 2.193
molecule: (1~{R})-1-cyclohexyl-2-[(5~{S})-5~{H}-imidazo[1,5-b]isoindol-5-yl]ethanol

List of other hemes in pdb:9esd

ID of heme Distortion Axial ligands on heme Function & structure
9esd-A-401
sad. -0.07
ruf. -0.40
dom. +0.02
bre. -0.28
HIS chainID: A,
resSeq: 312,
molecule: Tryptophan 2,3-dioxygenase
oxidoreductase
oligomeric count: 4
pocket vol.: 565.0 Å3
d(Fe-oop): 0.010 Å
5PK chainID: A, resSeq: 402,
molecule: (1~{R})-1-cyclohexyl-2-[(5~{S})-5~{H}-imidazo[1,5-b]isoindol-5-yl]ethanol
9esd-B-401
sad. -0.11
ruf. -0.47
dom. +0.05
bre. -0.27
HIS chainID: B,
resSeq: 312,
molecule: Tryptophan 2,3-dioxygenase
oxidoreductase
oligomeric count: 4
pocket vol.: 549.0 Å3
d(Fe-oop): 0.043 Å
5PK chainID: B, resSeq: 402,
molecule: (1~{R})-1-cyclohexyl-2-[(5~{S})-5~{H}-imidazo[1,5-b]isoindol-5-yl]ethanol
9esd-C-401
sad. -0.06
ruf. -0.43
dom. +0.00
bre. -0.27
HIS chainID: C,
resSeq: 312,
molecule: Tryptophan 2,3-dioxygenase
oxidoreductase
oligomeric count: 4
pocket vol.: 516.0 Å3
d(Fe-oop): 0.041 Å
5PK chainID: C, resSeq: 402,
molecule: (1~{R})-1-cyclohexyl-2-[(5~{S})-5~{H}-imidazo[1,5-b]isoindol-5-yl]ethanol