› 2yiv

X-ray diffraction
1.28Å resolution

NI,FE-CODH with n-butylisocyanate state

Released:
DOI: 10.2210/pdb2yiv/pdb
PDB entry 2yiv coloured by chain, front view.
PDB entry 2yiv coloured by chain, side view.
PDB entry 2yiv coloured by chain, top view.
Source organism: Carboxydothermus hydrogenoformans
Primary publication:
n-Butyl isocyanide oxidation at the [NiFe4S4OH(x)] cluster of CO dehydrogenase.
Jeoung JH, Dobbek H
J Biol Inorg Chem 17 167-73 (2012)
PMID: 21904889

Function and Biology Details

Reaction catalysed: 
CO + H(2)O + 2 oxidized ferredoxin = CO(2) + 2 reduced ferredoxin + 2 H(+)
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-190270 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Carbon monoxide dehydrogenase 2 Chain: X
Molecule details ›
Chain: X
Length: 656 amino acids
Theoretical weight: 69.19 KDa
Source organism: Carboxydothermus hydrogenoformans
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q9F8A8 (Residues: 1-636; Coverage: 100%)
Gene names: CHY_0085, cooS2, cooSII
Sequence domains: Prismane/CO dehydrogenase family
Structure domains:

Ligands and Environments

6 bound ligands:
Ligand SF4 1 x SF4
Ligand FES 1 x FES
Ligand WCC 1 x WCC
Ligand YIV 1 x YIV
Ligand FE 1 x FE
Ligand NBN 1 x NBN
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: BESSY BEAMLINE 14.2
Spacegroup: C2
Unit cell:
a: 112.7Å b: 75.24Å c: 71.22Å
α: 90° β: 111.38° γ: 90°
R-values:
R R work R free
0.114 0.112 0.143
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

4 review citations

Frontiers, opportunities, and challenges in biochemical and chemical catalysis of CO2 fixation.
Appel et al. (2013)
3 more

3 mentions without citation

Structure, function, and mechanism of the nickel metalloenzymes, CO dehydrogenase, and acetyl-CoA synthase.
Can et al. (2014)
2 more