PDBe 3kw1

X-ray diffraction
1.9Å resolution

Structural basis of the activity and substrate specificity of the fluoroacetyl-CoA FlK - Wild type FlK in complex with FAcOPan

Released:

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
Macromolecule:
Fluoroacetyl-CoA thioesterase Chains: A, B, C, D, E, F, G, H
Molecule details ›
Chains: A, B, C, D, E, F, G, H
Length: 139 amino acids
Theoretical weight: 15.28 KDa
Source organism: Streptomyces cattleya
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • 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 X10SA
Spacegroup: P21
Unit cell:
a: 78.84Å b: 71.547Å c: 102.507Å
α: 90° β: 102.92° γ: 90°
R-values:
R R work R free
0.212 0.209 0.269
Expression system: Escherichia coli BL21(DE3)