› 4fag

X-ray diffraction
2.5Å resolution

Crystal Structure of the Salicylate 1,2-dioxygenase from Pseudoaminobacter salicylatoxidans W104Y mutant in complex with gentisate

Released:
DOI: 10.2210/pdb4fag/pdb
PDB entry 4fag coloured by chain, front view.
PDB entry 4fag coloured by chain, side view.
PDB entry 4fag coloured by chain, top view.
Source organism: Pseudaminobacter salicylatoxidans
Primary publication:
The generation of a 1-hydroxy-2-naphthoate 1,2-dioxygenase by single point mutations of salicylate 1,2-dioxygenase--rational design of mutants and the crystal structures of the A85H and W104Y variants.
Ferraroni M, Steimer L, Matera I, Bürger S, Scozzafava A, Stolz A, Briganti F
J Struct Biol 180 563-71 (2012)
PMID: 22960182

Function and Biology Details

Reaction catalysed: 
2,5-dihydroxybenzoate + O(2) = maleylpyruvate
Biochemical function:
Biological process:
  • not assigned
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
homo tetramer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-179305 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Cupin type-2 domain-containing protein Chain: A
Molecule details ›
Chain: A
Length: 367 amino acids
Theoretical weight: 40.99 KDa
Source organism: Pseudaminobacter salicylatoxidans
Expression system: Escherichia coli
UniProt:
  • Canonical: Q67FT0 (Residues: 1-367; Coverage: 100%)
Gene name: C7441_11945
Sequence domains: Cupin domain
Structure domains: Jelly Rolls

Ligands and Environments

3 bound ligands:
Ligand FE 1 x FE
Ligand GTQ 1 x GTQ
Ligand GOL 1 x GOL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: EMBL/DESY, HAMBURG BEAMLINE X13
Spacegroup: I222
Unit cell:
a: 75.351Å b: 87.908Å c: 167.078Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.196 0.192 0.268
Expression system: Escherichia coli

Quick links

Citations

4 citation in other articles

Spontaneous release of fluoride during the dioxygenolytic cleavage of 5-fluorosalicylate by the salicylate 1,2-dioxygenase from Pseudaminobacter salicylatoxidans BN12.
Eppinger et al. (2016)
3 more