› 5ik6

X-ray diffraction
2.3Å resolution

Tobacco 5-epi-aristolochene synthase with germacrene A and PPi

Released:
DOI: 10.2210/pdb5ik6/pdb
PDB entry 5ik6 coloured by chain, front view.
PDB entry 5ik6 coloured by chain, side view.
PDB entry 5ik6 coloured by chain, top view.
Source organism: Nicotiana tabacum
Primary publication:
Biosynthetic potential of sesquiterpene synthases: product profiles of Egyptian Henbane premnaspirodiene synthase and related mutants.
Koo HJ, Vickery CR, Xu Y, Louie GV, O'Maille PE, Bowman M, Nartey CM, Burkart MD, Noel JP
J Antibiot (Tokyo) 69 524-33 (2016)
PMID: 27328867

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: 63.2 KDa
Source organism: Nicotiana tabacum
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q40577 (Residues: 1-548; Coverage: 100%)
Gene names: EAS3, EAS4
Sequence domains:
Structure domains:

Ligands and Environments

3 bound ligands:
Ligand MG 3 x MG
Ligand CRE 1 x CRE
Ligand DPO 1 x DPO
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ALS BEAMLINE 8.2.2
Spacegroup: P41212
Unit cell:
a: 126.51Å b: 126.51Å c: 123.21Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.164 0.163 0.2
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

2 review citations

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