› 2v7x

X-ray diffraction
1.96Å resolution

X-RAY CRYSTAL STRUCTURE OF 5'-FLUORODEOXYADENOSINE SYNTHASE S158A mutant FROM STREPTOMYCES CATTLEYA COMPLEXED WITH the PRODUCTS, FDA and Met

Released:
DOI: 10.2210/pdb2v7x/pdb
PDB entry 2v7x coloured by chain, front view.
PDB entry 2v7x coloured by chain, side view.
PDB entry 2v7x coloured by chain, top view.
Source organism: Streptomyces cattleya
Primary publication:
Mechanism of enzymatic fluorination in Streptomyces cattleya.
Zhu X, Robinson DA, McEwan AR, O'Hagan D, Naismith JH
J Am Chem Soc 129 14597-604 (2007)
PMID: 17985882

Function and Biology Details

Reaction catalysed: 
S-adenosyl-L-methionine + fluoride = 5'-deoxy-5'-fluoroadenosine + L-methionine
Biochemical function:
Biological process:
  • not assigned
Cellular component:
  • not assigned
Sequence domains:
Structure domains:

Structure analysis Details

Assembly composition:
homo hexamer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-180682 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Fluorinase Chains: A, B, C
Molecule details ›
Chains: A, B, C
Length: 299 amino acids
Theoretical weight: 32.39 KDa
Source organism: Streptomyces cattleya
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q70GK9 (Residues: 1-299; Coverage: 100%)
Gene name: flA
Sequence domains:
Structure domains:

Ligands and Environments

2 bound ligands:
Ligand MET 3 x MET
Ligand 5FD 3 x 5FD
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SRS BEAMLINE PX9.6
Spacegroup: C2221
Unit cell:
a: 74.575Å b: 127.355Å c: 180.192Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.186 0.184 0.223
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

17 review citations

Halogenation strategies in natural product biosynthesis.
Neumann et al. (2008)
16 more

1 mention without citation

Halogenases: a palette of emerging opportunities for synthetic biology-synthetic chemistry and C-H functionalisation.
Crowe et al. (2021)