6wkf

X-ray diffraction
2.5Å resolution

Crystal structure of pentalenene synthase mutant F76Y complexed with 12,13-difluorofarnesyl diphosphate

Released:

Function and Biology Details

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

Structure analysis Details

Assembly composition:
monomeric (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Pentalenene synthase Chains: A, B
Molecule details ›
Chains: A, B
Length: 337 amino acids
Theoretical weight: 38.07 KDa
Source organism: Streptomyces sp.
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q55012 (Residues: 1-337; Coverage: 100%)
Gene name: penA
Sequence domains: Terpene synthase family 2, C-terminal metal binding

Ligands and Environments

1 bound ligand:
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ALS BEAMLINE 8.2.2
Spacegroup: P63
Unit cell:
a: 183.267Å b: 183.267Å c: 56.728Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.209 0.208 0.235
Expression system: Escherichia coli BL21(DE3)