3lcr

X-ray diffraction
2Å resolution

Thioesterase from Tautomycetin Biosynthhetic Pathway

Released:

Function and Biology Details

Reactions catalysed:
(3R)-3-hydroxyacyl-[acyl-carrier-protein] + NADP(+) = 3-oxoacyl-[acyl-carrier-protein] + NADPH
An acyl-[acyl-carrier protein] + NADP(+) = a trans-2,3-dehydroacyl-[acyl-carrier protein] + NADPH
Acetyl-CoA + [acyl-carrier-protein] = CoA + acetyl-[acyl-carrier-protein]
Acyl-[acyl-carrier-protein] + malonyl-[acyl-carrier-protein] = 3-oxoacyl-[acyl-carrier-protein] + CO(2) + [acyl-carrier-protein]
Acetyl-CoA + n malonyl-CoA + 2n NADPH = a long-chain fatty acid + (n+1) CoA + n CO(2) + 2n NADP(+)
Oleoyl-[acyl-carrier-protein] + H(2)O = [acyl-carrier-protein] + oleate
A (3R)-3-hydroxyacyl-[acyl-carrier protein] = a trans-2-enoyl-[acyl-carrier protein] + H(2)O
Biochemical function:
  • not assigned
Biological process:
Cellular component:
  • not assigned

Structure analysis Details

Assembly composition:
homo dimer (preferred)
PDBe Complex ID:
PDB-CPX-107382 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Tautomycetin biosynthetic PKS Chains: A, B
Molecule details ›
Chains: A, B
Length: 319 amino acids
Theoretical weight: 34.53 KDa
Source organism: Streptomyces sp. CK4412
Expression system: Escherichia coli
UniProt:
  • Canonical: A4KCE5 (Residues: 7326-7620; Coverage: 4%)
Sequence domains: Thioesterase domain
Structure domains: alpha/beta hydrolase

Ligands and Environments

2 bound ligands:
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 23-ID-D
Spacegroup: P21
Unit cell:
a: 54.102Å b: 80.183Å c: 64.706Å
α: 90° β: 103.76° γ: 90°
R-values:
R R work R free
0.189 0.187 0.233
Expression system: Escherichia coli