Reaction Details Report a problem with these data
Target
Probable salicylate monooxygenase [Y105F]
Ligand
BDBM50336491
Substrate
n/a
Meas. Tech.
Substrate Binding Assay
pH
8±n/a
Kd
6.44e+5± 5.3e+4 nM
Comments
extracted
Citation
 Montersino, S; Orru, R; Barendregt, A; Westphal, AH; van Duijn, E; Mattevi, A; van Berkel, WJ Crystal structure of 3-hydroxybenzoate 6-hydroxylase uncovers lipid-assisted flavoprotein strategy for regioselective aromatic hydroxylation. J Biol Chem 288:26235-45 (2013) [PubMed]  Article 
Target
Name:
Probable salicylate monooxygenase [Y105F]
Synonyms:
3-Hydroxybenzoate 6-hydroxylase (3HB6H Y105F)
Type:
Dimeric flavoprotein
Mol. Mass.:
43969.58
Organism:
Rhodococcus jostii RHA1
Description:
R. jostii 3HB6H mutant Y105F
Residue:
399
Sequence:
MSNLQDARIIIAGGGIGGAANALALAQKGANVTLFERASEFGEVGAGLQVGPHGARILDSWGVLDDVLSRAFLPKNIVFRDAITAEVLTKIDLGSEFRGRYGGPFFVTHRSDLHATLVDAARAAGAELHTGVTVTDVITEGDKAIVSTDDGRTHEADIALGMDGLKSRLREKISGDEPVSSGYAAYRGTTPYRDVELDEDIEDVVGYIGPRCHFIQYPLRGGEMLNQVAVFESPGFKNGIENWGGPEELEQAYAHCHENVRRGIDYLWKDRWWPMYDREPIENWVDGRMILLGDAAHPPLQYLASGAVMAIEDAKCLADYAAEDFSTGGNSAWPQILKEVNTERAPRCNRILTTGRMWGELWHLDGTARIARNELFRTRDTSSYKYTDWLWGYSSDRAS
  
Inhibitor
Name:
BDBM50336491
Synonyms:
3-Hydroxy-benzoic acid | 3-Hydroxybenzoate | 3-Hydroxybenzoate, II | 3-hydroxybenzoic acid | CHEMBL65369
Type:
Small organic molecule
Emp. Form.:
C7H6O3
Mol. Mass.:
138.1207
SMILES:
OC(=O)c1cccc(O)c1
Structure:
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