› 1yyu

X-ray diffraction
2.95Å resolution

D100E Trichodiene Synthase: Complex With Mg, Pyrophosphate, and (4S)-7-azabisabolene

Released:
DOI: 10.2210/pdb1yyu/pdb
PDB entry 1yyu coloured by chain, front view.
PDB entry 1yyu coloured by chain, side view.
PDB entry 1yyu coloured by chain, top view.
Source organism: Fusarium sporotrichioides
Primary publication:
Molecular recognition of the substrate diphosphate group governs product diversity in trichodiene synthase mutants.
Vedula LS, Rynkiewicz MJ, Pyun HJ, Coates RM, Cane DE, Christianson DW
Biochemistry 44 6153-63 (2005)
PMID: 15835903

Function and Biology Details

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

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-146631 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Trichodiene synthase Chains: A, B
Molecule details ›
Chains: A, B
Length: 374 amino acids
Theoretical weight: 44.06 KDa
Source organism: Fusarium sporotrichioides
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P13513 (Residues: 1-374; Coverage: 100%)
Gene names: TOX 5, TRI5
Sequence domains: Trichodiene synthase (TRI5)
Structure domains: Farnesyl Diphosphate Synthase

Ligands and Environments

5 bound ligands:
Ligand MG 4 x MG
Ligand RAZ 1 x RAZ
Ligand POP 2 x POP
Ligand EDO 2 x EDO
Ligand SAZ 1 x SAZ
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: CHESS BEAMLINE A1
Spacegroup: P3121
Unit cell:
a: 122.49Å b: 122.49Å c: 150.61Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.218 0.218 0.255
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

9 review citations

Monoterpene and sesquiterpene synthases and the origin of terpene skeletal diversity in plants.
Degenhardt et al. (2009)
8 more