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PyDISH No: 06563

PDB: 3nn4,
chainID: D, resSeq: 239
heme type: B

distortion

Protein data

function: oxidoreductase
experiment: X-RAY DIFFRACTION
resolution: 2.7 Å

axial ligand #1: HIS

chainID: D,
resSeq: 160,
Coordination distance[Å]: 2.222
molecule: Chlorite dismutase
EC number: 1.13.11.49
Organism: Candidatus Nitrospira defluvii

axial ligand #2: HOH

chainID: D,
resSeq: 253,
Coordination distance[Å]: 3.015
molecule: water

List of other hemes in pdb:3nn4

ID of heme Distortion Axial ligands on heme Function & structure
3nn4-A-239
sad. -0.41
ruf. +0.12
dom. -0.10
bre. -0.20
HIS chainID: A,
resSeq: 160,
molecule: Chlorite dismutase
oxidoreductase
oligomeric count: 5
pocket vol.: 411.0 Å3
d(Fe-oop): 0.116 Å
HOH chainID: A, resSeq: 256,
molecule: water
3nn4-B-239
sad. -0.34
ruf. +0.30
dom. -0.06
bre. -0.15
HIS chainID: B,
resSeq: 160,
molecule: Chlorite dismutase
oxidoreductase
oligomeric count: 5
pocket vol.: 428.0 Å3
d(Fe-oop): 0.129 Å
Not assigned.
3nn4-C-239
sad. -0.47
ruf. +0.36
dom. -0.09
bre. -0.12
HIS chainID: C,
resSeq: 160,
molecule: Chlorite dismutase
oxidoreductase
oligomeric count: 5
pocket vol.: 432.0 Å3
d(Fe-oop): 0.066 Å
HOH chainID: C, resSeq: 267,
molecule: water
3nn4-E-239
sad. -0.41
ruf. +0.36
dom. -0.14
bre. -0.23
HIS chainID: E,
resSeq: 160,
molecule: Chlorite dismutase
oxidoreductase
oligomeric count: 5
pocket vol.: 457.0 Å3
d(Fe-oop): 0.106 Å
Not assigned.