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PyDISH No: 13860

PDB: 6pw1,
chainID: A, resSeq: 616
heme type: A

distortion

Protein data

function: oxidoreductase
experiment: X-RAY DIFFRACTION
resolution: 2.1 Å

axial ligand #1: HIS

chainID: A,
resSeq: 419,
Coordination distance[Å]: 2.2
molecule: Cytochrome c oxidase subunit 1
EC number: 1.9.3.1
Organism: Rhodobacter sphaeroides 2.4.1

axial ligand #2: HOH

chainID: A,
resSeq: 770,
Coordination distance[Å]: 2.283
molecule: water

List of other hemes in pdb:6pw1

ID of heme Distortion Axial ligands on heme Function & structure
6pw1-A-615
sad. -0.69
ruf. +0.28
dom. +0.27
bre. -0.46
HIS chainID: A,
resSeq: 102,
molecule: Cytochrome c oxidase subunit 1
oxidoreductase
oligomeric count: 2
pocket vol.: 595.0 Å3
d(Fe-oop): 0.070 Å
HIS chainID: A, resSeq: 421,
molecule: Cytochrome c oxidase subunit 1
6pw1-C-604
sad. -0.64
ruf. +0.33
dom. +0.31
bre. -0.50
HIS chainID: C,
resSeq: 102,
molecule: Cytochrome c oxidase subunit 1
oxidoreductase
oligomeric count: 2
pocket vol.: 602.0 Å3
d(Fe-oop): 0.051 Å
HIS chainID: C, resSeq: 421,
molecule: Cytochrome c oxidase subunit 1
6pw1-C-605
sad. -0.32
ruf. +0.06
dom. +0.53
bre. -0.54
HIS chainID: C,
resSeq: 419,
molecule: Cytochrome c oxidase subunit 1
oxidoreductase
oligomeric count: 2
pocket vol.: 722.0 Å3
d(Fe-oop): 0.043 Å
HOH chainID: C, resSeq: 740,
molecule: water