PDBe 3kvu

X-ray diffraction
2Å resolution

Structural basis of the activity and substrate specificity of the fluoroacetyl-CoA FlK - T42S mutant in complex with Acetyl-CoA


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, C, D
Molecule details ›
Chains: A, B, C, D
Length: 139 amino acids
Theoretical weight: 15.27 KDa
Source organism: Streptomyces cattleya
Expression system: Escherichia coli BL21(DE3)
  • 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: SLS BEAMLINE X06DA
Spacegroup: P21
Unit cell:
a: 44.98Å b: 55.97Å c: 96.41Å
α: 90° β: 96.87° γ: 90°
R R work R free
0.22 0.216 0.295
Expression system: Escherichia coli BL21(DE3)