› 7ao1

X-ray diffraction
1.8Å resolution

Crystal structure of CotB2 variant W288F in complex with alendronate

Released:
DOI: 10.2210/pdb7ao1/pdb
PDB entry 7ao1 coloured by chain, front view.
PDB entry 7ao1 coloured by chain, side view.
PDB entry 7ao1 coloured by chain, top view.
Source organism: Streptomyces melanosporofaciens
Primary publication:
The Impression of a Nonexisting Catalytic Effect: The Role of CotB2 in Guiding the Complex Biosynthesis of Cyclooctat-9-en-7-ol.
Raz K, Driller R, Dimos N, Ringel M, Brück T, Loll B, Major DT
J Am Chem Soc 142 21562-21574 (2020)
PMID: 33289561

Function and Biology Details

Reaction catalysed: 
Geranylgeranyl diphosphate + H(2)O = cyclooctat-9-en-7-ol + diphosphate
Biochemical function:
Biological process:
  • not assigned
Cellular component:
  • not assigned
Sequence domain:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-111872 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Cyclooctat-9-en-7-ol synthase Chains: A, B
Molecule details ›
Chains: A, B
Length: 318 amino acids
Theoretical weight: 36.73 KDa
Source organism: Streptomyces melanosporofaciens
Expression system: Escherichia coli BL21
UniProt:
  • Canonical: C9K1X5 (Residues: 1-307; Coverage: 100%)
Gene name: CotB2
Sequence domains: Terpene synthase family 2, C-terminal metal binding

Ligands and Environments

4 bound ligands:
Ligand AHD 2 x AHD
Ligand MG 6 x MG
Ligand CL 2 x CL
Ligand MPD 3 x MPD
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: BESSY BEAMLINE 14.2
Spacegroup: P1
Unit cell:
a: 53.668Å b: 57.096Å c: 57.349Å
α: 91.051° β: 116.314° γ: 102.014°
R-values:
R R work R free
0.175 0.173 0.226
Expression system: Escherichia coli BL21

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Citations

1 review citation

Decoding Catalysis by Terpene Synthases.
Whitehead et al. (2023)
7 other articles