› 1u8v

X-ray diffraction
1.6Å resolution

Crystal Structure of 4-Hydroxybutyryl-CoA Dehydratase from Clostridium aminobutyricum: Radical catalysis involving a [4Fe-4S] cluster and flavin

Released:
DOI: 10.2210/pdb1u8v/pdb
PDB entry 1u8v coloured by chain, front view.
PDB entry 1u8v coloured by chain, side view.
PDB entry 1u8v coloured by chain, top view.
Source organism: Clostridium aminobutyricum
Primary publication:
Crystal structure of 4-hydroxybutyryl-CoA dehydratase: radical catalysis involving a [4Fe-4S] cluster and flavin.
Martins BM, Dobbek H, Cinkaya I, Buckel W, Messerschmidt A
Proc Natl Acad Sci U S A 101 15645-9 (2004)
PMID: 15496473

Function and Biology Details

Reactions catalysed: 
4-hydroxybutanoyl-CoA = (E)-but-2-enoyl-CoA + H(2)O
Vinylacetyl-CoA = (E)-but-2-enoyl-CoA
Biochemical function:
Biological process:
  • not assigned
Cellular component:
  • not assigned
Sequence domains:
Structure domains:

Structure analysis Details

Assembly composition:
homo tetramer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-157317 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
4-hydroxybutyryl-CoA dehydratase/vinylacetyl-CoA-Delta-isomerase Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 490 amino acids
Theoretical weight: 54.57 KDa
Source organism: Clostridium aminobutyricum
UniProt:
  • Canonical: P55792 (Residues: 1-490; Coverage: 100%)
Gene name: abfD
Sequence domains:
Structure domains:

Ligands and Environments


Cofactor: Ligand FAD 4 x FAD
1 bound ligand:
Ligand SF4 4 x SF4
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SLS BEAMLINE X06SA
Spacegroup: P212121
Unit cell:
a: 102.3Å b: 130.2Å c: 175.5Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.165 0.163 0.212

Quick links

Citations

14 review citations

Iron-sulphur clusters and the problem with oxygen.
Imlay JA. (2006)
13 more

4 mentions without citation

Crystal structure of 4-hydroxybutyryl-CoA dehydratase: radical catalysis involving a [4Fe-4S] cluster and flavin.
Martins et al. (2004)
3 more