› 5ikh

X-ray diffraction
2.1Å resolution

Tobacco 5-epi-aristolochene synthase M4 mutant with (-)-premnaspirodiene

Released:
DOI: 10.2210/pdb5ikh/pdb
PDB entry 5ikh coloured by chain, front view.
PDB entry 5ikh coloured by chain, side view.
PDB entry 5ikh 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: 63.21 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

2 bound ligands:
Ligand 6BW 1 x 6BW
Ligand MG 2 x MG
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ALS BEAMLINE 8.2.2
Spacegroup: P41212
Unit cell:
a: 126.19Å b: 126.19Å c: 122.12Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.182 0.181 0.224
Expression system: Escherichia coli BL21(DE3)

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Citations

2 review citations

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