PDBe 3kuw

X-ray diffraction
1.9Å resolution

Structural basis of the activity ans substrate specificity of the fluoroacetyl-CoA thioesterase FlK - T42S mutant in complex with Fluoro-acetate


Function and Biology Details

Reaction catalysed:
Fluoroacetyl-CoA + H(2)O = fluoroacetate + CoA. 
Biochemical function:
Biological process:
  • not assigned
Cellular component:
  • not assigned

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Entry contents:
1 distinct polypeptide molecule
Fluoroacetyl-CoA thioesterase Chains: A, B
Molecule details ›
Chains: A, B
Length: 139 amino acids
Theoretical weight: 15.27 KDa
Source organism: Streptomyces cattleya
Expression system: Escherichia coli
  • Canonical: Q1EMV2 (Residues: 1-139; Coverage: 100%)
Gene name: flK
Structure domains: Thiol Ester Dehydrase; Chain A

Ligands and Environments

1 bound ligand:

No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID14-4
Spacegroup: C2
Unit cell:
a: 62.504Å b: 92.896Å c: 49.594Å
α: 90° β: 100.93° γ: 90°
R R work R free
0.19 0.185 0.256
Expression system: Escherichia coli