› 3qju

X-ray diffraction
2.9Å resolution

The structure of and photolytic induced changes of carbon monoxide binding to the cytochrome ba3-oxidase from Thermus thermophilus

Released:
DOI: 10.2210/pdb3qju/pdb
PDB entry 3qju coloured by chain, front view.
PDB entry 3qju coloured by chain, side view.
PDB entry 3qju coloured by chain, top view.
Source organism: Thermus thermophilus HB8
Primary publication:
Structural changes that occur upon photolysis of the Fe(II)(a3)-CO complex in the cytochrome ba(3)-oxidase of Thermus thermophilus: a combined X-ray crystallographic and infrared spectral study demonstrates CO binding to Cu(B).
Liu B, Zhang Y, Sage JT, Soltis SM, Doukov T, Chen Y, Stout CD, Fee JA
Biochim Biophys Acta 1817 658-65 (2012)
PMID: 22226917

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 trimer (preferred)
PDBe Complex ID:
PDB-CPX-160634 (preferred)
Entry contents:
3 distinct polypeptide molecules
Macromolecules (3 distinct):
Cytochrome c oxidase subunit 1 Chain: A
Molecule details ›
Chain: A
Length: 568 amino acids
Theoretical weight: 63.4 KDa
Source organism: Thermus thermophilus HB8
Expression system: Thermus thermophilus HB8
UniProt:
  • Canonical: Q5SJ79 (Residues: 2-562; Coverage: 100%)
Gene names: TTHA1135, cbaA
Sequence domains: Cytochrome C and Quinol oxidase polypeptide I
Structure domains: Cytochrome c oxidase-like, subunit I domain
Cytochrome c oxidase subunit 2 Chain: B
Molecule details ›
Chain: B
Length: 168 amino acids
Theoretical weight: 18.58 KDa
Source organism: Thermus thermophilus HB8
Expression system: Thermus thermophilus HB8
UniProt:
  • Canonical: Q5SJ80 (Residues: 1-168; Coverage: 100%)
Gene names: TTHA1134, cbaB, ctaC
Sequence domains:
Structure domains:
Cytochrome c oxidase polypeptide 2A Chain: C
Molecule details ›
Chain: C
Length: 34 amino acids
Theoretical weight: 3.77 KDa
Source organism: Thermus thermophilus HB8
Expression system: Thermus thermophilus HB8
UniProt:
  • Canonical: P82543 (Residues: 1-34; Coverage: 100%)
Gene names: TTHA1133, cbaD
Sequence domains: Cytochrome c oxidase subunit IIa family

Ligands and Environments

5 bound ligands:
Ligand CU1 1 x CU1
Ligand HEM 1 x HEM
Ligand HAS 1 x HAS
Ligand CMO 1 x CMO
Ligand CUA 1 x CUA
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRL BEAMLINE BL11-1
Spacegroup: P43212
Unit cell:
a: 109.75Å b: 109.75Å c: 164.77Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.288 0.286 0.329
Expression system: Thermus thermophilus HB8

Quick links

Citations

1 review citation

The pathway of O₂to the active site in heme-copper oxidases.
Einarsdóttir et al. (2015)
9 other articles

1 mention without citation

Structural changes that occur upon photolysis of the Fe(II)(a3)-CO complex in the cytochrome ba(3)-oxidase of Thermus thermophilus: a combined X-ray crystallographic and infrared spectral study demonstrates CO binding to Cu(B).
Liu et al. (2012)