6uqs | pdb_00006uqs

Serendipitous Discovery of Aryl Boronic Acids as beta-Lactamase Inhibitors

spinqualitylabelsall models 6uqs, resolution 1.37Å Show:Asymmetric Unit Biological Assembly Drag the structure with the mouse to rotate   Export Animated Image   Print3D Structural highlights 6uqs is a 1 chain structure with sequence from "bacillus_aeruginosus"_(schroeter_1872)_trevisan_1885 "bacillus aeruginosus" (schroeter 1872) trevisan 1885. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance. Ligands: CL, QFP Gene: ampC, RW109_RW109_01564 ("Bacillus aeruginosus" (Schroeter 1872) Trevisan 1885) Activity: Beta-lactamase, with EC number 3.5.2.6 Resources: FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT Publication Abstract from PubMed High throughput screening for beta-lactamase inhibitors afforded biphenyl hits such as 1. Hit confirmation and X-ray soaking experiments with Pseudomonas Aeruginosa AmpC enzyme led to the identification of an aryl boronic acid-serine complex 4, which was formed from phenyl boronic acid 8 (an impurity in compound 1) and ethylene glycol (the cryoprotectant in the soaking experiment). Serendipitous discovery of aryl boronic acids as beta-lactamase inhibitors.,Yang SW, Pan J, Root Y, Scapin G, Xiao L, Su J Bioorg Med Chem Lett. 2019 Nov 9:126795. doi: 10.1016/j.bmcl.2019.126795. PMID:31759850 From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.

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