6V1M

Structure of NDM-1 bound to QPX7728 at 1.05 A

Summary for 6V1M

Entry DOI	10.2210/pdb6v1m/pdb
Descriptor	Metallo-beta-lactamase type 2, ZINC ION, (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, ... (4 entities in total)
Functional Keywords	carbapenemase, boronate, inhibitor, beta-lactamase, hydrolase, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
Biological source	Klebsiella pneumoniae
Total number of polymer chains	1
Total formula weight	24972.48
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 Cited by PubMed: 32150407 DOI: 10.1021/acs.jmedchem.9b01976 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.05 Å)

Structure validation