› 3kb9

X-ray diffraction
1.6Å resolution

Epi-isozizaene synthase: Complex with Mg, inorganic pyrophosphate and benzyl triethyl ammonium cation

Released:
DOI: 10.2210/pdb3kb9/pdb
PDB entry 3kb9 coloured by chain, front view.
PDB entry 3kb9 coloured by chain, side view.
PDB entry 3kb9 coloured by chain, top view.
Source organism: Streptomyces coelicolor
Primary publication:
Structure of epi-isozizaene synthase from Streptomyces coelicolor A3(2), a platform for new terpenoid cyclization templates.
Aaron JA, Lin X, Cane DE, Christianson DW
Biochemistry 49 1787-97 (2010)
PMID: 20131801

Function and Biology Details

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

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-191758 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Epi-isozizaene synthase Chain: A
Molecule details ›
Chain: A
Length: 382 amino acids
Theoretical weight: 43.72 KDa
Source organism: Streptomyces coelicolor
Expression system: Escherichia coli
UniProt:
  • Canonical: Q9K499 (Residues: 2-361; Coverage: 100%)
Gene names: SC7E4.19, SCO5222, cyc1
Sequence domains: Terpene synthase family 2, C-terminal metal binding
Structure domains: Farnesyl Diphosphate Synthase

Ligands and Environments

5 bound ligands:
Ligand MG 3 x MG
Ligand POP 1 x POP
Ligand BTM 1 x BTM
Ligand SO4 1 x SO4
Ligand GOL 4 x GOL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 24-ID-C
Spacegroup: P21
Unit cell:
a: 53.185Å b: 47.374Å c: 75.376Å
α: 90° β: 95.53° γ: 90°
R-values:
R R work R free
0.16 0.158 0.189
Expression system: Escherichia coli

Quick links

Citations

16 review citations

Bacterial terpene cyclases.
Dickschat JS. (2016)
15 more

12 mentions without citation

Terpenoid synthase structures: a so far incomplete view of complex catalysis.
Gao et al. (2012)
11 more