3BM6

AmpC beta-lactamase in complex with a p.carboxyphenylboronic acid

Summary for 3BM6

• Entry DOI: 10.2210/pdb3bm6/pdb
• Related: 1C3B 1GA9 2I72
• Descriptor: Beta-lactamase, 4-(dihydroxyboranyl)-2-({[4-(phenylsulfonyl)thiophen-2-yl]sulfonyl}amino)benzoic acid (3 entities in total)
• Functional Keywords: ampc, beta-lactamases, cephalosporinase, serine hydrolase, covalent inhibition, antibiotic resistance, periplasm, hydrolase
• Biological source: Escherichia coli
• Cellular location: Periplasm: P00811
• Total number of polymer chains: 2
• Total formula weight: 80110.45

Authors

Tondi, D. (deposition date: 2007-12-12, release date: 2009-02-17, Last modification date: 2024-10-09)

Primary citation

Tondi, D.,Calo, S.,Shoichet, B.K.,Costi, M.P.
Structural study of phenyl boronic acid derivatives as AmpC beta-lactamase inhibitors.
Bioorg.Med.Chem.Lett., 20:3416-3419, 2010

PubMed Abstract: A small set of boronic acids acting as low nanomolar inhibitors of AmpC beta-lactamase were designed and synthesized in the effort to improve affinity, pharmacokinetic properties, and to provide a valid lead compound. X-ray crystallography revealed the binary complex of the best inhibitor bound to the enzyme, highlighting possibilities for its further rational derivatization and chemical optimization.

PubMed: 20452208
DOI: 10.1016/j.bmcl.2010.04.007

Experimental method

X-RAY DIFFRACTION (2.1 Å)