› 6wkj

X-ray diffraction
2.3Å resolution

Crystal structure of pentalenene synthase mutant F76H complexed with 12,13-difluorofarnesyl diphosphate

Released:
DOI: 10.2210/pdb6wkj/pdb
PDB entry 6wkj coloured by chain, front view.
PDB entry 6wkj coloured by chain, side view.
PDB entry 6wkj coloured by chain, top view.
Source organism: Streptomyces sp.
Primary publication:
Mechanism Underlying Anti-Markovnikov Addition in the Reaction of Pentalenene Synthase.
Matos JO, Kumar RP, Ma AC, Patterson M, Krauss IJ, Oprian DD
Biochemistry 59 3271-3283 (2020)
PMID: 32786410

Function and Biology Details

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

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-176258 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Pentalenene synthase Chains: A, B
Molecule details ›
Chains: A, B
Length: 337 amino acids
Theoretical weight: 38.04 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:
Ligand FDF 1 x FDF
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ALS BEAMLINE 8.2.2
Spacegroup: P63
Unit cell:
a: 182.026Å b: 182.026Å c: 56.425Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.213 0.211 0.246
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

2 review citations

Predictive Engineering of Class I Terpene Synthases Using Experimental and Computational Approaches.
Leferink et al. (2022)
1 more

1 mention without citation

Mechanism Underlying Anti-Markovnikov Addition in the Reaction of Pentalenene Synthase.
Matos et al. (2020)