› 3g4d

X-ray diffraction
2.4Å resolution

Crystal Structure of (+)-delta-Cadinene Synthase from Gossypium arboreum and Evolutionary Divergence of Metal Binding Motifs for Catalysis

Released:
DOI: 10.2210/pdb3g4d/pdb
PDB entry 3g4d coloured by chain, front view.
PDB entry 3g4d coloured by chain, side view.
PDB entry 3g4d coloured by chain, top view.
Source organism: Gossypium arboreum
Primary publication:
Crystal structure of (+)-delta-cadinene synthase from Gossypium arboreum and evolutionary divergence of metal binding motifs for catalysis.
Gennadios HA, Gonzalez V, Di Costanzo L, Li A, Yu F, Miller DJ, Allemann RK, Christianson DW
Biochemistry 48 6175-83 (2009)
PMID: 19489610

Function and Biology Details

Reaction catalysed: 
(2E,6E)-farnesyl diphosphate = (+)-delta-cadinene + 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-174464 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
(+)-delta-cadinene synthase isozyme XC1 Chains: A, B
Molecule details ›
Chains: A, B
Length: 554 amino acids
Theoretical weight: 64.22 KDa
Source organism: Gossypium arboreum
Expression system: Escherichia coli
UniProt:
  • Canonical: Q39761 (Residues: 1-554; Coverage: 100%)
Sequence domains:
Structure domains:

Ligands and Environments

2 bound ligands:
Ligand BME 3 x BME
Ligand GOL 4 x GOL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 24-ID-C
Spacegroup: P213
Unit cell:
a: 158.195Å b: 158.195Å c: 158.195Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.194 0.192 0.238
Expression system: Escherichia coli

Quick links

Citations

10 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)
9 more

6 mentions without citation

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