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PyDISH No: 05096

PDB: 3ag3,
chainID: N, resSeq: 515
heme type: A

distortion

Protein data

function: oxidoreductase
experiment: X-RAY DIFFRACTION
resolution: 1.8 Å

axial ligand #1: HIS

chainID: N,
resSeq: 61,
Coordination distance[Å]: 1.98
molecule: Cytochrome c oxidase subunit 1
EC number: 1.9.3.1
Organism: Bos taurus

axial ligand #2: HIS

chainID: N,
resSeq: 378,
Coordination distance[Å]: 1.987
molecule: same as ligand #1

List of other hemes in pdb:3ag3

ID of heme Distortion Axial ligands on heme Function & structure
3ag3-A-515
sad. -0.64
ruf. +0.32
dom. +0.17
bre. -0.17
HIS chainID: A,
resSeq: 61,
molecule: Cytochrome c oxidase subunit 1
oxidoreductase
oligomeric count: 13
pocket vol.: 564.0 Å3
d(Fe-oop): 0.031 Å
HIS chainID: A, resSeq: 378,
molecule: Cytochrome c oxidase subunit 1
3ag3-A-516
sad. -0.44
ruf. -0.11
dom. +0.30
bre. +0.04
HIS chainID: A,
resSeq: 376,
molecule: Cytochrome c oxidase subunit 1
oxidoreductase
oligomeric count: 13
pocket vol.: 670.0 Å3
d(Fe-oop): 0.001 Å
NO chainID: A, resSeq: 520,
molecule: NITRIC OXIDE
3ag3-N-516
sad. -0.46
ruf. -0.07
dom. +0.29
bre. -0.07
HIS chainID: N,
resSeq: 376,
molecule: Cytochrome c oxidase subunit 1
oxidoreductase
oligomeric count: 13
pocket vol.: 687.0 Å3
d(Fe-oop): 0.009 Å
NO chainID: N, resSeq: 520,
molecule: NITRIC OXIDE