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PyDISH No: 05195

PDB: 3bk9,
chainID: G, resSeq: 401
heme type: B

distortion

Protein data

function: oxidoreductase
experiment: X-RAY DIFFRACTION
resolution: 2.15 Å

axial ligand #1: HIS

chainID: G,
resSeq: 240,
Coordination distance[Å]: 2.356
molecule: Tryptophan 2,3-dioxygenase
EC number: 1.13.11.11
Organism: Xanthomonas campestris pv. campestris

axial ligand #2: HOH

chainID: G,
resSeq: 663,
Coordination distance[Å]: 2.941
molecule: water

List of other hemes in pdb:3bk9

ID of heme Distortion Axial ligands on heme Function & structure
3bk9-A-401
sad. +0.26
ruf. +0.03
dom. -0.19
bre. -0.17
HIS chainID: A,
resSeq: 240,
molecule: Tryptophan 2,3-dioxygenase
oxidoreductase
oligomeric count: 4
pocket vol.: 495.0 Å3
d(Fe-oop): 0.027 Å
HOH chainID: A, resSeq: 552,
molecule: water
3bk9-B-401
sad. +0.37
ruf. +0.15
dom. -0.07
bre. +0.03
HIS chainID: B,
resSeq: 240,
molecule: Tryptophan 2,3-dioxygenase
oxidoreductase
oligomeric count: 4
pocket vol.: 467.0 Å3
d(Fe-oop): 0.028 Å
HOH chainID: B, resSeq: 1541,
molecule: water
3bk9-C-401
sad. +0.20
ruf. +0.00
dom. -0.08
bre. -0.01
HIS chainID: C,
resSeq: 240,
molecule: Tryptophan 2,3-dioxygenase
oxidoreductase
oligomeric count: 4
pocket vol.: 502.0 Å3
d(Fe-oop): 0.054 Å
HOH chainID: C, resSeq: 632,
molecule: water
3bk9-D-401
sad. +0.19
ruf. -0.11
dom. +0.01
bre. +0.10
HIS chainID: D,
resSeq: 240,
molecule: Tryptophan 2,3-dioxygenase
oxidoreductase
oligomeric count: 4
pocket vol.: 467.0 Å3
d(Fe-oop): 0.022 Å
HOH chainID: D, resSeq: 621,
molecule: water
3bk9-E-401
sad. +0.42
ruf. +0.10
dom. -0.06
bre. -0.58
HIS chainID: E,
resSeq: 240,
molecule: Tryptophan 2,3-dioxygenase
oxidoreductase
oligomeric count: 4
pocket vol.: 487.0 Å3
d(Fe-oop): 0.082 Å
HOH chainID: E, resSeq: 642,
molecule: water
3bk9-F-401
sad. +0.37
ruf. -0.06
dom. +0.05
bre. -0.54
HIS chainID: F,
resSeq: 240,
molecule: Tryptophan 2,3-dioxygenase
oxidoreductase
oligomeric count: 4
pocket vol.: 501.0 Å3
d(Fe-oop): 0.112 Å
HOH chainID: F, resSeq: 662,
molecule: water
3bk9-H-401
sad. +0.23
ruf. +0.25
dom. +0.04
bre. -0.55
HIS chainID: H,
resSeq: 240,
molecule: Tryptophan 2,3-dioxygenase
oxidoreductase
oligomeric count: 4
pocket vol.: 479.0 Å3
d(Fe-oop): 0.041 Å
HOH chainID: H, resSeq: 1542,
molecule: water