› 4udy

X-ray diffraction
1.09Å resolution

NCO- bound to cluster C of Ni,Fe-CO dehydrogenase at true-atomic resolution

Released:
DOI: 10.2210/pdb4udy/pdb
PDB entry 4udy coloured by chain, front view.
PDB entry 4udy coloured by chain, side view.
PDB entry 4udy coloured by chain, top view.
Source organism: Carboxydothermus hydrogenoformans
Primary publication:
How the [NiFe4S4] Cluster of CO Dehydrogenase Activates CO2 and NCO(-).
Fesseler J, Jeoung JH, Dobbek H
Angew Chem Int Ed Engl 54 8560-4 (2015)
PMID: 25926100

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: 636 amino acids
Theoretical weight: 66.99 KDa
Source organism: Carboxydothermus hydrogenoformans
Expression system: Escherichia coli
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

5 bound ligands:
Ligand SF4 1 x SF4
Ligand FES 1 x FES
Ligand WCC 1 x WCC
Ligand FE2 1 x FE2
Ligand 0NM 1 x 0NM
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: BESSY BEAMLINE 14.2
Spacegroup: C2
Unit cell:
a: 112.183Å b: 75.008Å c: 71.149Å
α: 90° β: 111.22° γ: 90°
R-values:
R R work R free
0.136 not available 0.165
Expression system: Escherichia coli

Quick links

Citations

5 review citations

Biocatalysis for the application of CO2 as a chemical feedstock.
Alissandratos et al. (2015)
4 more

3 mentions without citation

Structural Insights into Microbial One-Carbon Metabolic Enzymes Ni-Fe-S-Dependent Carbon Monoxide Dehydrogenases and Acetyl-CoA Synthases.
Biester et al. (2022)
2 more