› 4bk2

X-ray diffraction
2.47Å resolution

Crystal structure of 3-hydroxybenzoate 6-hydroxylase uncovers lipid- assisted flavoprotein strategy for regioselective aromatic hydroxylation: Q301E mutant

Released:
DOI: 10.2210/pdb4bk2/pdb
PDB entry 4bk2 coloured by chain, front view.
PDB entry 4bk2 coloured by chain, side view.
PDB entry 4bk2 coloured by chain, top view.
Source organism: Rhodococcus jostii RHA1
Primary publication:
Crystal structure of 3-hydroxybenzoate 6-hydroxylase uncovers lipid-assisted flavoprotein strategy for regioselective aromatic hydroxylation.
Montersino S, Orru R, Barendregt A, Westphal AH, van Duijn E, Mattevi A, van Berkel WJH
J Biol Chem 288 26235-26245 (2013)
PMID: 23864660

Function and Biology Details

Reaction catalysed: 
Salicylate + NADH + O(2) = catechol + NAD(+) + H(2)O + CO(2)
Biochemical function:
Biological process:
  • not assigned
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-171146 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
FAD-binding domain-containing protein Chain: A
Molecule details ›
Chain: A
Length: 424 amino acids
Theoretical weight: 46.95 KDa
Source organism: Rhodococcus jostii RHA1
Expression system: Escherichia coli
UniProt:
  • Canonical: Q0SFK6 (Residues: 1-399; Coverage: 100%)
Gene name: RHA1_ro01869
Sequence domains: FAD binding domain
Structure domains:

Ligands and Environments


Cofactor: Ligand FAD 1 x FAD
1 bound ligand:
Ligand P3A 1 x P3A
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID14-4
Spacegroup: I4122
Unit cell:
a: 106.52Å b: 106.52Å c: 142.78Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.177 0.173 0.241
Expression system: Escherichia coli

Quick links

Citations

3 review citations

Flavin dependent monooxygenases.
Huijbers et al. (2014)
2 more

1 mention without citation

Crystal structure of 3-hydroxybenzoate 6-hydroxylase uncovers lipid-assisted flavoprotein strategy for regioselective aromatic hydroxylation.
Montersino et al. (2013)