5imp

X-ray diffraction
2.04Å resolution

Crystal structure of N299A Aspergillus terreus aristolochene synthase complexed with (1S,8S,9aR)-1,9a-dimethyl-8-(prop-1-en-2-yl)decahydroquinolizin-5-ium

Released:

Function and Biology Details

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

Structure analysis Details

Assemblies composition:
homo dimer (preferred)
homo tetramer
Assembly name:
PDBe Complex ID:
PDB-CPX-194076 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Aristolochene synthase Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 314 amino acids
Theoretical weight: 36.18 KDa
Source organism: Aspergillus terreus
Expression system: Escherichia coli
UniProt:
  • Canonical: Q9UR08 (Residues: 14-320; Coverage: 96%)
Gene name: Ari1
Sequence domains: Terpene synthase family 2, C-terminal metal binding
Structure domains: Farnesyl Diphosphate Synthase

Ligands and Environments

No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: NSLS BEAMLINE X29A
Spacegroup: P3121
Unit cell:
a: 123.848Å b: 123.848Å c: 202.283Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.203 0.203 0.235
Expression system: Escherichia coli