› 1dgp

X-ray diffraction
2.8Å resolution

ARISTOLOCHENE SYNTHASE FARNESOL COMPLEX

Released:
DOI: 10.2210/pdb1dgp/pdb
PDB 1dgp coloured by chain and viewed from the front.
PDB 1dgp coloured by chain and viewed from the side.
PDB 1dgp coloured by chain and viewed from the top.
Source organism: Penicillium roqueforti
Primary publication:
Crystal structure determination of aristolochene synthase from the blue cheese mold, Penicillium roqueforti.
Caruthers JM, Kang I, Rynkiewicz MJ, Cane DE, Christianson DW
J Biol Chem 275 25533-9 (2000)
PMID: 10825154

Function and Biology Details

Reaction catalysed: 
(2E,6E)-farnesyl diphosphate = aristolochene + diphosphate
Biochemical function:
  • not assigned
Biological process:
  • not assigned
Cellular component:
  • not assigned
Sequence domain:
Structure domain:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Aristolochene synthase Chains: A, B
Molecule details ›
Chains: A, B
Length: 300 amino acids
Theoretical weight: 34.5 KDa
Source organism: Penicillium roqueforti
Expression system: Escherichia coli
UniProt:
  • Canonical: Q03471 (Residues: 40-339; Coverage: 88%)
Gene names: ORF2, ari1, prx2
Structure domains: Farnesyl Diphosphate Synthase

Ligands and Environments

2 bound ligands:
Ligand FOF 2 x FOF
Ligand FOH 2 x FOH
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: NSLS BEAMLINE X12B
Spacegroup: I422
Unit cell:
a: 208.2Å b: 208.2Å c: 139.6Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.235 0.234 0.264
Expression system: Escherichia coli

Quick links

Citations

23 review citations

Germacrene A-A Central Intermediate in Sesquiterpene Biosynthesis.
Xu et al. (2020)
22 more

1 mention without citation

Synthetic efficiency in enzyme mechanisms involving carbocations: aristolochene synthase.
Allemann et al. (2007)