8CUM

X-ray crystal structure of OXA-24/40 in complex with sulfonamidoboronic acid 6d

Summary for 8CUM

• Entry DOI: 10.2210/pdb8cum/pdb
• Descriptor: Beta-lactamase, 3-({[(1S)-1-boronopropyl]sulfamoyl}methyl)benzoic acid, SULFATE ION, ... (4 entities in total)
• Functional Keywords: carbapenemase, inhibitor, batsi, hydrolase, hydrolase-inhibitor complex, hydrolase/inhibitor
• Biological source: Acinetobacter baumannii
• Total number of polymer chains: 1
• Total formula weight: 28595.36

Authors

Fernando, M.C.,Wallar, B.J.,Powers, R.A. (deposition date: 2022-05-17, release date: 2023-04-05, Last modification date: 2023-11-15)

• Primary citation: Introvigne, L.M.,Beardsley, T.J.,Fernando, M.C.,Leonard, D.A.,Wallar, B.J.,Rudin, S.D.,Taracila, M.A.,Rather, P.N.,Colquhoun, J.M.,Song, S.,Fini, F.,Hujer, K.M.,Hujer, A.M.,Prati, F.,Powers, R.A.,Bonomo, R.A.,Caselli, E.; Sulfonamidoboronic Acids as "Cross-Class" Inhibitors of an Expanded-Spectrum Class C Cephalosporinase, ADC-33, and a Class D Carbapenemase, OXA-24/40: Strategic Compound Design to Combat Resistance in Acinetobacter baumannii; Antibiotics, 12:644-, 2023; DOI: 10.3390/antibiotics12040644

Experimental method

X-RAY DIFFRACTION (1.49 Å)