› 3m00

X-ray diffraction
2.1Å resolution

Crystal Structure of 5-epi-aristolochene synthase M4 mutant complexed with (2-cis,6-trans)-2-fluorofarnesyl diphosphate

Released:
DOI: 10.2210/pdb3m00/pdb
PDB entry 3m00 coloured by chain, front view.
PDB entry 3m00 coloured by chain, side view.
PDB entry 3m00 coloured by chain, top view.
Source organism: Nicotiana tabacum
Primary publication:
Structural elucidation of cisoid and transoid cyclization pathways of a sesquiterpene synthase using 2-fluorofarnesyl diphosphates.
Noel JP, Dellas N, Faraldos JA, Zhao M, Hess BA, Smentek L, Coates RM, O'Maille PE
ACS Chem Biol 5 377-92 (2010)
PMID: 20175559

Function and Biology Details

Reaction catalysed: 
(2E,6E)-farnesyl diphosphate = (+)-5-epiaristolochene + diphosphate
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-174935 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
5-epi-aristolochene synthase Chain: A
Molecule details ›
Chain: A
Length: 550 amino acids
Theoretical weight: 63.21 KDa
Source organism: Nicotiana tabacum
Expression system: Escherichia coli
UniProt:
  • Canonical: Q40577 (Residues: 1-548; Coverage: 100%)
Gene names: EAS3, EAS4
Sequence domains:
Structure domains:

Ligands and Environments

2 bound ligands:
Ligand 2CF 1 x 2CF
Ligand MG 3 x MG
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ALS BEAMLINE 8.2.1
Spacegroup: P41212
Unit cell:
a: 126.1Å b: 126.1Å c: 122.38Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.221 0.221 0.259
Expression system: Escherichia coli

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Citations

7 review citations

Structural and Chemical Biology of Terpenoid Cyclases.
Christianson DW. (2017)
6 more

2 mentions without citation

Structural elucidation of cisoid and transoid cyclization pathways of a sesquiterpene synthase using 2-fluorofarnesyl diphosphates.
Noel et al. (2010)
1 more