› 2j5c

X-ray diffraction
1.95Å resolution

Rational conversion of substrate and product specificity in a monoterpene synthase. Structural insights into the molecular basis of rapid evolution.

Released:
DOI: 10.2210/pdb2j5c/pdb
PDB entry 2j5c coloured by chain, front view.
PDB entry 2j5c coloured by chain, side view.
PDB entry 2j5c coloured by chain, top view.
Source organism: Salvia fruticosa
Primary publication:
Rational conversion of substrate and product specificity in a Salvia monoterpene synthase: structural insights into the evolution of terpene synthase function.
Kampranis SC, Ioannidis D, Purvis A, Mahrez W, Ninga E, Katerelos NA, Anssour S, Dunwell JM, Degenhardt J, Makris AM, Goodenough PW, Johnson CB
Plant Cell 19 1994-2005 (2007)
PMID: 17557809

Function and Biology Details

Reactions catalysed: 
Geranyl diphosphate + H(2)O = 1,8-cineole + diphosphate
Geranyl diphosphate + H(2)O = (-)-alpha-terpineol + diphosphate
Geranyl diphosphate = myrcene + diphosphate
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-108155 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Cineole synthase 1, chloroplastic Chains: A, B
Molecule details ›
Chains: A, B
Length: 569 amino acids
Theoretical weight: 67.26 KDa
Source organism: Salvia fruticosa
Expression system: Escherichia coli BL21
UniProt:
  • Canonical: A6XH05 (Residues: 25-591; Coverage: 96%)
Gene name: CinS1
Sequence domains:
Structure domains:

Ligands and Environments

1 bound ligand:
Ligand BME 4 x BME
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SRS BEAMLINE PX10.1
Spacegroup: C2221
Unit cell:
a: 124.55Å b: 171.15Å c: 123.81Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.218 0.218 0.235
Expression system: Escherichia coli BL21

Quick links

Citations

27 review citations

The family of terpene synthases in plants: a mid-size family of genes for specialized metabolism that is highly diversified throughout the kingdom.
Chen et al. (2011)
26 more

8 mentions without citation

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