› 3ils

X-ray diffraction
1.7Å resolution

The Thioesterase Domain from PksA

Released:
DOI: 10.2210/pdb3ils/pdb
PDB entry 3ils coloured by chain, front view.
PDB entry 3ils coloured by chain, side view.
PDB entry 3ils coloured by chain, top view.
Source organism: Aspergillus parasiticus
Primary publication:
Structure and function of an iterative polyketide synthase thioesterase domain catalyzing Claisen cyclization in aflatoxin biosynthesis.
Korman TP, Crawford JM, Labonte JW, Newman AG, Wong J, Townsend CA, Tsai SC
Proc Natl Acad Sci U S A 107 6246-51 (2010)
PMID: 20332208

Function and Biology Details

Reaction catalysed: 
7 malonyl-CoA + hexanoyl-[acyl-carrier protein] = 7 CoA + norsolorinate anthrone + [acyl-carrier protein] + 7 CO(2) + 2 H(2)O
Biochemical function:
  • not assigned
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-171284 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Norsolorinic acid synthase Chain: A
Molecule details ›
Chain: A
Length: 265 amino acids
Theoretical weight: 29.17 KDa
Source organism: Aspergillus parasiticus
Expression system: Escherichia coli
UniProt:
  • Canonical: Q12053 (Residues: 1845-2109; Coverage: 13%)
Gene names: P875_00052995, aflC, pksA, pksL1
Sequence domains: Thioesterase domain
Structure domains: alpha/beta hydrolase

Ligands and Environments

No bound ligands
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRL BEAMLINE BL9-2, ALS BEAMLINE 5.0.2
Spacegroup: P212121
Unit cell:
a: 66.934Å b: 66.941Å c: 67.925Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.178 0.178 0.208
Expression system: Escherichia coli

Quick links

Citations

10 review citations

The structures of type I polyketide synthases.
Keatinge-Clay AT. (2012)
9 more

7 mentions without citation

Structural analysis of protein-protein interactions in type I polyketide synthases.
Xu et al. (2013)
6 more