› 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

Released:
DOI: 10.2210/pdb3kvu/pdb
PDB entry 3kvu coloured by chain, front view.
PDB entry 3kvu coloured by chain, side view.
PDB entry 3kvu coloured by chain, top view.
Source organism: Streptomyces cattleya
Primary publication:
Structural basis for the activity and substrate specificity of fluoroacetyl-CoA thioesterase FlK.
Dias MV, Huang F, Chirgadze DY, Tosin M, Spiteller D, Dry EF, Leadlay PF, Spencer JB, Blundell TL
J Biol Chem 285 22495-504 (2010)
PMID: 20430898

Function and Biology Details

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

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-172822 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
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)
UniProt:
  • Canonical: Q1EMV2 (Residues: 1-139; Coverage: 100%)
Gene name: flK
Structure domains: Hotdog Thioesterase

Ligands and Environments

1 bound ligand:
Ligand ACO 3 x ACO
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-values:
R R work R free
0.22 0.216 0.295
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

3 review citations

Polyketide synthase and non-ribosomal peptide synthetase thioesterase selectivity: logic gate or a victim of fate?
Horsman et al. (2016)
2 more

3 mentions without citation

Active site comparisons and catalytic mechanisms of the hot dog superfamily.
Labonte et al. (2013)
2 more