› 3a5r

X-ray diffraction
1.6Å resolution

Benzalacetone synthase from Rheum palmatum complexed with 4-coumaroyl-primed monoketide intermediate

Released:
DOI: 10.2210/pdb3a5r/pdb
PDB entry 3a5r coloured by chain, front view.
PDB entry 3a5r coloured by chain, side view.
PDB entry 3a5r coloured by chain, top view.
Source organism: Rheum palmatum
Primary publication:
A structure-based mechanism for benzalacetone synthase from Rheum palmatum.
Morita H, Shimokawa Y, Tanio M, Kato R, Noguchi H, Sugio S, Kohno T, Abe I
Proc Natl Acad Sci U S A 107 669-73 (2010)
PMID: 20080733

Function and Biology Details

Reaction catalysed: 
4-coumaroyl-CoA + malonyl-CoA + H(2)O = 2 CoA + 4-hydroxybenzalacetone + 2 CO(2)
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-188231 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Polyketide synthase BAS Chains: A, B
Molecule details ›
Chains: A, B
Length: 387 amino acids
Theoretical weight: 42.49 KDa
Source organism: Rheum palmatum
Expression system: Escherichia coli
UniProt:
  • Canonical: Q94FV7 (Residues: 1-384; Coverage: 100%)
Gene name: BAS
Sequence domains:
Structure domains: Peroxisomal Thiolase; Chain A, domain 1

Ligands and Environments

1 bound ligand:
Ligand HC4 2 x HC4
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SPRING-8 BEAMLINE BL24XU
Spacegroup: P21
Unit cell:
a: 54.622Å b: 89.847Å c: 81.1Å
α: 90° β: 100.45° γ: 90°
R-values:
R R work R free
0.197 0.195 0.215
Expression system: Escherichia coli

Quick links

Citations

4 review citations

Structure and function of the chalcone synthase superfamily of plant type III polyketide synthases.
Abe et al. (2010)
3 more

3 mentions without citation

Structural classification and properties of ketoacyl synthases.
Chen et al. (2011)
2 more