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PyDISH No: 06557

PDB: 3nn3,
chainID: C, resSeq: 239
heme type: B

distortion

Protein data

function: oxidoreductase
experiment: X-RAY DIFFRACTION
resolution: 2.6 Å
origomeric count: 5

axial ligand #1: HIS

chainID: C,
resSeq: 160,
Coordination distance[Å]: 2.293
molecule: Chlorite dismutase
EC number: 1.13.11.49
Organism: Candidatus Nitrospira defluvii

axial ligand #2: HOH

chainID: C,
resSeq: 245,
Coordination distance[Å]: 2.901
molecule: water

List of other hemes in pdb:3nn3

ID of heme Distortion Axial ligands on heme Function & structure
3nn3-A-239
sad. -0.32
ruf. +0.18
dom. -0.12
bre. +0.01
HIS chainID: A,
resSeq: 160,
molecule: Chlorite dismutase
oxidoreductase
oligomeric count: 5
pocket vol.: 492.0 Å3
d(Fe-oop): 0.035 Å
HOH chainID: A, resSeq: 245,
molecule: water
3nn3-B-239
sad. -0.28
ruf. +0.24
dom. -0.08
bre. +0.11
HIS chainID: B,
resSeq: 160,
molecule: Chlorite dismutase
oxidoreductase
oligomeric count: 5
pocket vol.: 475.0 Å3
d(Fe-oop): 0.045 Å
HOH chainID: B, resSeq: 247,
molecule: water
3nn3-D-239
sad. -0.42
ruf. +0.35
dom. -0.11
bre. +0.01
HIS chainID: D,
resSeq: 160,
molecule: Chlorite dismutase
oxidoreductase
oligomeric count: 5
pocket vol.: 500.0 Å3
d(Fe-oop): 0.014 Å
Not assigned.
3nn3-E-239
sad. -0.34
ruf. +0.36
dom. -0.13
bre. +0.06
HIS chainID: E,
resSeq: 160,
molecule: Chlorite dismutase
oxidoreductase
oligomeric count: 5
pocket vol.: 501.0 Å3
d(Fe-oop): 0.023 Å
Not assigned.