8CUP

X-ray crystal structure of ADC-33 in complex with sulfonamidoboronic acid 6d

Summary for 8CUP

Entry DOI	10.2210/pdb8cup/pdb
Descriptor	Beta-lactamase, 3-[(4S)-4-ethyl-5,7,7-trihydroxy-2,2,7-trioxo-6-oxa-2lambda~6~-thia-3-aza-7lambda~5~-phospha-5-boraheptan-1-yl]benzoic acid (3 entities in total)
Functional Keywords	cephalasporinase, inhibitor, hydrolase, hydrolase-inhibitor complex, hydrolase/inhibitor
Biological source	Acinetobacter baumannii
Total number of polymer chains	2
Total formula weight	82391.31
Authors	Fernando, M.C.,Wallar, B.J.,Powers, R.A. (deposition date: 2022-05-17, release date: 2023-04-05, Last modification date: 2024-05-01)
Primary citation	Introvigne, M.L.,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:-, 2023 Cited by PubMed: 37107006 DOI: 10.3390/antibiotics12040644 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.54 Å)

Structure validation