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PyDISH No: 06930

PDB: 3qnr,
chainID: A, resSeq: 400
heme type: B

distortion

Protein data

function: oxidoreductase
experiment: X-RAY DIFFRACTION
resolution: 2.25 Å

axial ligand #1: HIS

chainID: A,
resSeq: 226,
Coordination distance[Å]: 2.04
molecule: DyP Peroxidase
Organism: Rhodococcus jostii RHA1

axial ligand #2: HOH

chainID: A,
resSeq: 518,
Coordination distance[Å]: 2.229
molecule: water

List of other hemes in pdb:3qnr

ID of heme Distortion Axial ligands on heme Function & structure
3qnr-B-400
sad. +0.29
ruf. +0.07
dom. -0.01
bre. -0.03
HIS chainID: B,
resSeq: 226,
molecule: DyP Peroxidase
oxidoreductase
oligomeric count: 6
pocket vol.: 435.0 Å3
d(Fe-oop): 0.016 Å
HOH chainID: B, resSeq: 394,
molecule: water
3qnr-C-400
sad. +0.32
ruf. +0.07
dom. +0.02
bre. -0.22
HIS chainID: C,
resSeq: 226,
molecule: DyP Peroxidase
oxidoreductase
oligomeric count: 6
pocket vol.: 399.0 Å3
d(Fe-oop): 0.029 Å
HOH chainID: C, resSeq: 456,
molecule: water