› 5nx5

X-ray diffraction
1.82Å resolution

Crystal structure of Linalool/Nerolidol synthase from Streptomyces clavuligerus in complex with 2-fluorogeranyl diphosphate

Released:
DOI: 10.2210/pdb5nx5/pdb
PDB entry 5nx5 coloured by chain, front view.
PDB entry 5nx5 coloured by chain, side view.
PDB entry 5nx5 coloured by chain, top view.
Source organism: Streptomyces clavuligerus
Primary publication:
Structural Basis of Catalysis in the Bacterial Monoterpene Synthases Linalool Synthase and 1,8-Cineole Synthase.
Karuppiah V, Ranaghan KE, Leferink NGH, Johannissen LO, Shanmugam M, Ní Cheallaigh A, Bennett NJ, Kearsey LJ, Takano E, Gardiner JM, van der Kamp MW, Hay S, Mulholland AJ, Leys D, Scrutton NS
ACS Catal 7 6268-6282 (2017)
PMID: 28966840

Function and Biology Details

Reaction catalysed: 
Geranyl diphosphate + H(2)O = (3R)-linalool + diphosphate
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-112723 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
R-linalool synthase Chains: A, B
Molecule details ›
Chains: A, B
Length: 329 amino acids
Theoretical weight: 36.45 KDa
Source organism: Streptomyces clavuligerus
Expression system: Escherichia coli
UniProt:
  • Canonical: D5SL78 (Residues: 1-329; Coverage: 100%)
Gene name: SCLAV_p1185
Sequence domains: Terpene synthase family 2, C-terminal metal binding
Structure domains: Farnesyl Diphosphate Synthase

Ligands and Environments

5 bound ligands:
Ligand MG 1 x MG
Ligand 0FV 1 x 0FV
Ligand CL 2 x CL
Ligand GOL 5 x GOL
Ligand PO4 1 x PO4
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I04
Spacegroup: I4
Unit cell:
a: 139.37Å b: 139.37Å c: 86.06Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.168 0.167 0.189
Expression system: Escherichia coli

Quick links

Citations

7 review citations

Alternative metabolic pathways and strategies to high-titre terpenoid production in Escherichia coli.
Rinaldi et al. (2022)
6 more

4 mentions without citation

Structural Basis of Catalysis in the Bacterial Monoterpene Synthases Linalool Synthase and 1,8-Cineole Synthase.
Karuppiah et al. (2017)
3 more