› 8on0

X-ray diffraction
1.29Å resolution

NI,FE-CODH -600mV state : 90 min Dioxygen Exposure

Released:
DOI: 10.2210/pdb8on0/pdb
PDB entry 8on0 coloured by chain, front view.
PDB entry 8on0 coloured by chain, side view.
PDB entry 8on0 coloured by chain, top view.
Source organism: Carboxydothermus hydrogenoformans Z-2901
Primary publication:
Stepwise O2 -Induced Rearrangement and Disassembly of the [NiFe4 (OH)(μ3 -S)4 ] Active Site Cluster of CO Dehydrogenase.
Basak Y, Jeoung JH, Domnik L, Dobbek H
Angew Chem Int Ed Engl 62 e202305341 (2023)
PMID: 37279092

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:

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: 67.01 KDa
Source organism: Carboxydothermus hydrogenoformans Z-2901
Expression system: Escherichia coli B
UniProt:
  • Canonical: Q9F8A8 (Residues: 1-636; Coverage: 100%)
Gene names: CHY_0085, cooS2, cooSII
Sequence domains: Prismane/CO dehydrogenase family

Ligands and Environments

5 bound ligands:
Ligand SF4 1 x SF4
Ligand FES 1 x FES
Ligand FE2 1 x FE2
Ligand FE 6 x FE
Ligand H2S 2 x H2S
1 modified residue:
Ligand CSO 1 x CSO

Experiments and Validation Details

Entry percentile scores
X-ray source: BESSY BEAMLINE 14.1
Spacegroup: C2
Unit cell:
a: 112.599Å b: 74.705Å c: 71.157Å
α: 90° β: 111.37° γ: 90°
R-values:
R R work R free
0.132 0.131 0.157
Expression system: Escherichia coli B

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