› 1dgp

X-ray diffraction
2.8Å resolution

ARISTOLOCHENE SYNTHASE FARNESOL COMPLEX

Released:
DOI: 10.2210/pdb1dgp/pdb
PDB entry 1dgp coloured by chain, front view.
PDB entry 1dgp coloured by chain, side view.
PDB entry 1dgp coloured by chain, top view.
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)
Assembly name:
PDBe Complex ID:
PDB-CPX-169898 (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
Sequence domains: Terpene synthase family 2, C-terminal metal binding
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

24 review citations

Fungal secondary metabolism - from biochemistry to genomics.
Keller et al. (2005)
23 more

1 mention without citation

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