Reaction Details Report a problem with these data
Target
UDP-3-O-acyl-N-acetylglucosamine deacetylase
Ligand
BDBM92275
Substrate
n/a
Meas. Tech.
Thermofluor
pH
7.0000±n/a
Temperature
298.1500±n/a K
Kd
7250±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:
UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase | zinc deacetylase LpxC | LPXC_AQUAE | lpxC | envA | UDP-3-O-Acyl-GlcNAc Deacetylase (LpxC)
Type:
Hydrolase
Mol. Mass.:
32146.02
Organism:
Aquifex aeolicus (strain VF5)
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:
BDBM92275
Synonyms:
CS268
Type:
n/a
Emp. Form.:
n/a
Mol. Mass.:
251.2
SMILES:
ONC(=O)[C@H]1COC(=N1)c1ccc(cc1)[N+]([O-])=O |c:7|
Structure:
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