› 8v3k

X-ray diffraction
1.47Å resolution

F95S-F198S epi-Isozizaene Synthase: complex with 3 Mg2+, inorganic pyrophosphate, and benzyl triethyl ammonium cation

Released:
DOI: 10.2210/pdb8v3k/pdb
PDB entry 8v3k coloured by chain, front view.
PDB entry 8v3k coloured by chain, side view.
PDB entry 8v3k coloured by chain, top view.
Source organism: Streptomyces coelicolor A3(2)
Primary publication:
Structure-Based Engineering of a Sesquiterpene Cyclase to Generate an Alcohol Product: Conversion of epi-Isozizaene Synthase into α-Bisabolol Synthase.
Eaton SA, Christianson DW
Biochemistry (2024)
PMID: 38420671

Function and Biology Details

Reaction catalysed: 
(2E,6E)-farnesyl diphosphate = (+)-epi-isozizaene + diphosphate
Biochemical function:
Biological process:
  • not assigned
Cellular component:
  • not assigned

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-191758 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Epi-isozizaene synthase Chain: A
Molecule details ›
Chain: A
Length: 382 amino acids
Theoretical weight: 43.6 KDa
Source organism: Streptomyces coelicolor A3(2)
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q9K499 (Residues: 2-361; Coverage: 100%)
Gene names: SC7E4.19, SCO5222, cyc1
Sequence domains: Terpene synthase family 2, C-terminal metal binding

Ligands and Environments

5 bound ligands:
Ligand GOL 2 x GOL
Ligand MG 3 x MG
Ligand DPO 1 x DPO
Ligand BTM 1 x BTM
Ligand SO4 1 x SO4
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: NSLS-II BEAMLINE 17-ID-1
Spacegroup: P21
Unit cell:
a: 53.11Å b: 47.098Å c: 75.312Å
α: 90° β: 95.352° γ: 90°
R-values:
R R work R free
0.171 0.171 0.193
Expression system: Escherichia coli BL21(DE3)

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