Reaction Details Report a problem with these data
Target
UDP-3-O-acyl-N-acetylglucosamine deacetylase
Ligand
BDBM92282
Substrate
n/a
Meas. Tech.
Thermofluor
pH
7±n/a
Temperature
298.15±n/a K
Kd
28500±n/a nM
Citation
 CSARdock, CD LPXC in CSAR_FULL_RELEASE_3JULY2012 CSAR 1:0 (2012)  
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:
BDBM92282
Synonyms:
CS276
Type:
n/a
Emp. Form.:
C10H9FN2O2Si
Mol. Mass.:
236.2746
SMILES:
ONC(=O)C1=C[SiH2]C(=N1)c1ccc(F)cc1 |c:7,t:4|
Structure:
Search PDB for entries with ligand similarity: