› 3hrq

X-ray diffraction
1.8Å resolution

The Product Template Domain from PksA with palmitate bound

Released:
DOI: 10.2210/pdb3hrq/pdb
PDB entry 3hrq coloured by chain, front view.
PDB entry 3hrq coloured by chain, side view.
PDB entry 3hrq coloured by chain, top view.
Source organism: Aspergillus parasiticus
Primary publication:
Structural basis for biosynthetic programming of fungal aromatic polyketide cyclization.
Crawford JM, Korman TP, Labonte JW, Vagstad AL, Hill EA, Kamari-Bidkorpeh O, Tsai SC, Townsend CA
Nature 461 1139-43 (2009)
PMID: 19847268

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:
  • not assigned
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assemblies composition:
homo dimer
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-171284 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Norsolorinic acid synthase Chains: A, B
Molecule details ›
Chains: A, B
Length: 357 amino acids
Theoretical weight: 39.37 KDa
Source organism: Aspergillus parasiticus
Expression system: Escherichia coli
UniProt:
  • Canonical: Q12053 (Residues: 1305-1660; Coverage: 17%)
Gene names: P875_00052995, aflC, pksA, pksL1
Sequence domains: Polyketide synthase dehydratase N-terminal domain
Structure domains: Polyketide synthase dehydratase

Ligands and Environments

1 bound ligand:
Ligand PLM 2 x PLM
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRL BEAMLINE BL9-1
Spacegroup: P212121
Unit cell:
a: 88.793Å b: 91.247Å c: 91.233Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.203 0.203 0.223
Expression system: Escherichia coli

Quick links

Citations

25 review citations

PKS and NRPS release mechanisms.
Du et al. (2010)
24 more

9 mentions without citation

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