› 5wau

X-ray diffraction
1.95Å resolution

Crystal Structure of CO-bound Cytochrome c Oxidase determined by Synchrotron X-Ray Crystallography at 100 K

Released:
DOI: 10.2210/pdb5wau/pdb
Model geometry
Fit model/data
PDB entry 5wau coloured by chain, front view.
PDB entry 5wau coloured by chain, side view.
PDB entry 5wau coloured by chain, top view.
Source organism: Bos taurus
Primary publication:
Crystal structure of CO-bound cytochrome c oxidase determined by serial femtosecond X-ray crystallography at room temperature.
Ishigami I, Zatsepin NA, Hikita M, Conrad CE, Nelson G, Coe JD, Basu S, Grant TD, Seaberg MH, Sierra RG, Hunter MS, Fromme P, Fromme R, Yeh SR, Rousseau DL
Proc Natl Acad Sci U S A 114 8011-8016 (2017)
PMID: 28698372

Function and Biology Details

Reaction catalysed: 
4 ferrocytochrome c + O(2) + 8 H(+)(Side 1) = 4 ferricytochrome c + 4 H(2)O(Side 2)
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
hetero 26-mer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-132470 (preferred)
Entry contents:
13 distinct polypeptide molecules
Macromolecules (13 distinct):
Cytochrome c oxidase subunit 1 Chains: A, a
Molecule details ›
Chains: A, a
Length: 514 amino acids
Theoretical weight: 57.09 KDa
Source organism: Bos taurus
UniProt:
  • Canonical: P00396 (Residues: 1-514; Coverage: 100%)
Gene names: COI, COXI, MT-CO1, MTCO1
Sequence domains: Cytochrome C and Quinol oxidase polypeptide I
Structure domains: Cytochrome c oxidase-like, subunit I domain
Cytochrome c oxidase subunit 2 Chains: B, b
Molecule details ›
Chains: B, b
Length: 227 amino acids
Theoretical weight: 26.07 KDa
Source organism: Bos taurus
UniProt:
  • Canonical: P68530 (Residues: 1-227; Coverage: 100%)
Gene names: COII, COX2, COXII, MT-CO2, MTCO2
Sequence domains:
Structure domains:
Cytochrome c oxidase subunit 3 Chains: C, c
Cytochrome c oxidase subunit 4 isoform 1, mitochondrial Chains: D, d
Cytochrome c oxidase subunit 5A, mitochondrial Chains: E, e
Cytochrome c oxidase subunit 5B, mitochondrial Chains: F, f
Cytochrome c oxidase subunit 6A2, mitochondrial Chains: G, g
Cytochrome c oxidase subunit 6B1 Chains: H, h
Cytochrome c oxidase subunit 6C Chains: I, i
Cytochrome c oxidase subunit 7A1, mitochondrial Chains: J, j
Cytochrome c oxidase subunit 7B, mitochondrial Chains: K, k
Cytochrome c oxidase subunit 7C, mitochondrial Chains: L, l
Cytochrome c oxidase subunit 8B, mitochondrial Chains: M, m

Ligands and Environments

14 bound ligands:
Ligand HEA 4 x HEA
Ligand CU 2 x CU
Ligand MG 2 x MG
Ligand NA 2 x NA
Ligand PGV 8 x PGV
Ligand TGL 6 x TGL
Ligand CMO 2 x CMO
Ligand CUA 2 x CUA
Ligand CHD 8 x CHD
Ligand PEK 6 x PEK
Ligand CDL 4 x CDL
Ligand DMU 4 x DMU
Ligand PSC 2 x PSC
Ligand ZN 2 x ZN
3 modified residues:
Ligand FME 4 x FME
Ligand TPO 2 x TPO
Ligand SAC 2 x SAC

Experiments and Validation Details

wwPDB Validation report is not available for this entry.
X-ray source: ALS BEAMLINE 8.2.1
Spacegroup: P212121
Unit cell:
a: 177.923Å b: 182.555Å c: 208.45Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.219 0.217 0.244

Quick links

Citations

10 review citations

Mitochondrial Structure and Bioenergetics in Normal and Disease Conditions.
Protasoni et al. (2021)
9 more

5 mentions without citation

Why All the Fuss about Oxidative Phosphorylation (OXPHOS)?
Xu et al. (2020)
4 more