› 1rqp

X-ray diffraction
1.8Å resolution

Crystal structure and mechanism of a bacterial fluorinating enzyme

Released:
DOI: 10.2210/pdb1rqp/pdb
PDB entry 1rqp coloured by chain, front view.
PDB entry 1rqp coloured by chain, side view.
PDB entry 1rqp coloured by chain, top view.
Source organism: Streptomyces cattleya
Primary publication:
Crystal structure and mechanism of a bacterial fluorinating enzyme.
Dong C, Huang F, Deng H, Schaffrath C, Spencer JB, O'Hagan D, Naismith JH
Nature 427 561-5 (2004)
PMID: 14765200

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: 32.4 KDa
Source organism: Streptomyces cattleya
UniProt:
  • Canonical: Q70GK9 (Residues: 1-299; Coverage: 100%)
Gene name: flA
Sequence domains:
Structure domains:

Ligands and Environments


Cofactor: Ligand SAM 3 x SAM
No bound ligands
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID14-2
Spacegroup: C2221
Unit cell:
a: 75.908Å b: 130.302Å c: 183.435Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.17 0.167 0.217

Quick links

Citations

45 review citations

Catalysis for fluorination and trifluoromethylation.
Furuya et al. (2011)
44 more

10 mentions without citation

Enzymatic Halogenation and Dehalogenation Reactions: Pervasive and Mechanistically Diverse.
Agarwal et al. (2017)
9 more