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PyDISH No: 18026

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

distortion

Protein data

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

axial ligand #1: HIS

chainID: D,
resSeq: 270,
Coordination distance[Å]: 2.289
molecule: Catalase-peroxidase
Organism: Mycobacterium tuberculosis

axial ligand #2: HOH

chainID: D,
resSeq: 1483,
Coordination distance[Å]: 2.789
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-B-1002
sad. -0.91
ruf. +0.09
dom. +0.09
bre. -0.12
HIS chainID: B,
resSeq: 270,
molecule: Catalase-peroxidase
oxidoreductase
oligomeric count: 2
pocket vol.: 425.0 Å3
d(Fe-oop): 0.250 Å
HOH chainID: B, resSeq: 1322,
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