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PyDISH No: 18024

PDB: 8u3p,
chainID: B, resSeq: 1002
heme type: B

distortion

Protein data

function: oxidoreductase
experiment: X-RAY DIFFRACTION
resolution: 1.79 Å

axial ligand #1: HIS

chainID: B,
resSeq: 270,
Coordination distance[Å]: 2.283
molecule: Catalase-peroxidase
Organism: Mycobacterium tuberculosis

axial ligand #2: HOH

chainID: B,
resSeq: 1322,
Coordination distance[Å]: 2.821
molecule: water

List of other hemes in pdb:8u3p

ID of heme Distortion Axial ligands on heme Function & structure
8u3p-A-1002
sad. -0.86
ruf. -0.07
dom. -0.00
bre. -0.13
HIS chainID: A,
resSeq: 270,
molecule: Catalase-peroxidase
oxidoreductase
oligomeric count: 2
pocket vol.: 444.0 Å3
d(Fe-oop): 0.323 Å
HOH chainID: A, resSeq: 1311,
molecule: water
8u3p-C-1002
sad. -0.89
ruf. -0.01
dom. +0.12
bre. -0.16
HIS chainID: C,
resSeq: 270,
molecule: Catalase-peroxidase
oxidoreductase
oligomeric count: 2
pocket vol.: 427.0 Å3
d(Fe-oop): 0.252 Å
HOH chainID: C, resSeq: 2868,
molecule: water
8u3p-D-1002
sad. -0.88
ruf. -0.03
dom. -0.05
bre. -0.15
HIS chainID: D,
resSeq: 270,
molecule: Catalase-peroxidase
oxidoreductase
oligomeric count: 2
pocket vol.: 437.0 Å3
d(Fe-oop): 0.346 Å
HOH chainID: D, resSeq: 1483,
molecule: water