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PyDISH No: 05411

PDB: 3e08,
chainID: A, resSeq: 401
heme type: B

distortion

Protein data

function: oxidoreductase
experiment: X-RAY DIFFRACTION
resolution: 1.9 Å

axial ligand #1: HIS

chainID: A,
resSeq: 240,
Coordination distance[Å]: 2.199
molecule: Tryptophan 2,3-dioxygenase
EC number: 1.13.11.11
Organism: Xanthomonas campestris pv. campestris

axial ligand #2: HOH

chainID: A,
resSeq: 405,
Coordination distance[Å]: 2.587
molecule: water

List of other hemes in pdb:3e08

ID of heme Distortion Axial ligands on heme Function & structure
3e08-B-401
sad. +0.31
ruf. -0.23
dom. -0.11
bre. -0.24
HIS chainID: B,
resSeq: 240,
molecule: Tryptophan 2,3-dioxygenase
oxidoreductase
oligomeric count: 4
pocket vol.: 484.0 Å3
d(Fe-oop): 0.072 Å
HOH chainID: B, resSeq: 550,
molecule: water
3e08-C-401
sad. +0.33
ruf. -0.26
dom. -0.17
bre. -0.21
HIS chainID: C,
resSeq: 240,
molecule: Tryptophan 2,3-dioxygenase
oxidoreductase
oligomeric count: 4
pocket vol.: 459.0 Å3
d(Fe-oop): 0.017 Å
HOH chainID: C, resSeq: 643,
molecule: water
3e08-D-401
sad. +0.27
ruf. -0.17
dom. -0.12
bre. -0.19
HIS chainID: D,
resSeq: 240,
molecule: Tryptophan 2,3-dioxygenase
oxidoreductase
oligomeric count: 4
pocket vol.: 466.0 Å3
d(Fe-oop): 0.037 Å
HOH chainID: D, resSeq: 629,
molecule: water
3e08-E-401
sad. +0.33
ruf. -0.16
dom. -0.07
bre. -0.28
HIS chainID: E,
resSeq: 240,
molecule: Tryptophan 2,3-dioxygenase
oxidoreductase
oligomeric count: 4
pocket vol.: 466.0 Å3
d(Fe-oop): 0.067 Å
HOH chainID: E, resSeq: 408,
molecule: water
3e08-F-401
sad. +0.38
ruf. -0.36
dom. -0.17
bre. -0.30
HIS chainID: F,
resSeq: 240,
molecule: Tryptophan 2,3-dioxygenase
oxidoreductase
oligomeric count: 4
pocket vol.: 472.0 Å3
d(Fe-oop): 0.015 Å
HOH chainID: F, resSeq: 503,
molecule: water
3e08-G-401
sad. +0.34
ruf. -0.27
dom. -0.08
bre. -0.29
HIS chainID: G,
resSeq: 240,
molecule: Tryptophan 2,3-dioxygenase
oxidoreductase
oligomeric count: 4
pocket vol.: 460.0 Å3
d(Fe-oop): 0.052 Å
HOH chainID: G, resSeq: 415,
molecule: water
3e08-H-401
sad. +0.33
ruf. -0.14
dom. -0.11
bre. -0.29
HIS chainID: H,
resSeq: 240,
molecule: Tryptophan 2,3-dioxygenase
oxidoreductase
oligomeric count: 4
pocket vol.: 460.0 Å3
d(Fe-oop): 0.111 Å
HOH chainID: H, resSeq: 662,
molecule: water