Reaction Details Report a problem with these data
Target
UDP-3-O-acyl-N-acetylglucosamine deacetylase
Ligand
BDBM23445
Substrate
BDBM10852
Meas. Tech.
Ligand Affinity Measurements
pH
7±n/a
Temperature
303.15±n/a K
Kd
2000±n/a nM
Citation
 Shin, H; Gennadios, HA; Whittington, DA; Christianson, DW Amphipathic benzoic acid derivatives: synthesis and binding in the hydrophobic tunnel of the zinc deacetylase LpxC. Bioorg Med Chem 15:2617-23 (2007) [PubMed]  Article 
Target
Name:
UDP-3-O-acyl-N-acetylglucosamine deacetylase
Synonyms:
LPXC_AQUAE | UDP-3-O-Acyl-GlcNAc Deacetylase (LpxC) | UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase | envA | lpxC | zinc deacetylase LpxC
Type:
Hydrolase
Mol. Mass.:
32146.02
Organism:
Aquifex aeolicus
Description:
The enzyme was stripped of all metal ions by dialysis against 1.0 mM EDTA in buffer at room temperature. The EDTA was then removed by extensive dialysis against EDTA-free buffer and the enzyme was reconstituted to a 1:1 Zn2+ to LpxC ratio by the addition of ZnSO4.
Residue:
282
Sequence:
MGLEKTVKEKLSFEGVGIHTGEYSKLIIHPEKEGTGIRFFKNGVYIPARHEFVVHTNHSTDLGFKGQRIKTVEHILSVLHLLEITNVTIEVIGNEIPILDGSGWEFYEAIRKNILNQNREIDYFVVEEPIIVEDEGRLIKAEPSDTLEVTYEGEFKNFLGRQKFTFVEGNEEEIVLARTFCFDWEIEHIKKVGLGKGGSLKNTLVLGKDKVYNPEGLRYENEPVRHKVFDLIGDLYLLGSPVKGKFYSFRGGHSLNVKLVKELAKKQKLTRDLPHLPSVQAL
  
Inhibitor
Name:
BDBM23445
Synonyms:
3-(heptyloxy)benzoate | benzoic acid derivative, 14
Type:
Small organic molecule
Emp. Form.:
C14H19O3
Mol. Mass.:
235.2994
SMILES:
CCCCCCCOc1cccc(c1)C([O-])=O
Structure:
Search PDB for entries with ligand similarity:
Substrate