6V1P

Structure of VIM-2 bound to QPX7728 at 1.20 A

Summary for 6V1P

• Entry DOI: 10.2210/pdb6v1p/pdb
• Descriptor: Beta-lactamase class B VIM-2, (1~{a}~{R},7~{b}~{S})-5-fluoranyl-2,2-bis(oxidanyl)-1~{a},7~{b}-dihydro-1~{H}-cyclopropa[c][1,2]benzoxaborinine-4-carboxylic acid, ZINC ION, ... (6 entities in total)
• Functional Keywords: carbapenemase, boronate, inhibitor, beta-lactamase, hydrolase, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
• Biological source: Pseudomonas aeruginosa
• Total number of polymer chains: 2
• Total formula weight: 52677.76

Authors

Pemberton, O.A.,Chen, Y. (deposition date: 2019-11-20, release date: 2020-03-25, Last modification date: 2023-10-11)

• Primary citation: Hecker, S.J.,Reddy, K.R.,Lomovskaya, O.,Griffith, D.C.,Rubio-Aparicio, D.,Nelson, K.,Tsivkovski, R.,Sun, D.,Sabet, M.,Tarazi, Z.,Parkinson, J.,Totrov, M.,Boyer, S.H.,Glinka, T.W.,Pemberton, O.A.,Chen, Y.,Dudley, M.N.; Discovery of Cyclic Boronic Acid QPX7728, an Ultrabroad-Spectrum Inhibitor of Serine and Metallo-beta-lactamases.; J.Med.Chem., 63:7491-7507, 2020; PubMed: 32150407; DOI: 10.1021/acs.jmedchem.9b01976

Experimental method

X-RAY DIFFRACTION (1.2 Å)