6JN4

Serine Beta-Lactamase KPC-2 in Complex with Dual MBL/SBL Inhibitor WL-001

Summary for 6JN4

Entry DOI	10.2210/pdb6jn4/pdb
Descriptor	Serine Beta-Lactamase KPC-2, [(R)-(4-fluorophenyl)-[[(2S)-2-methyl-3-sulfanyl-propanoyl]amino]methyl]boronic acid, ACETATE ION, ... (6 entities in total)
Functional Keywords	beta-lactamase, serine-beta-lactamase kpc-2, kpc-2, carbapenemase, hydrolase
Biological source	Klebsiella pneumoniae
Total number of polymer chains	4
Total formula weight	114788.20
Authors	Li, G.-B.,Liu, S. (deposition date: 2019-03-13, release date: 2019-07-17, Last modification date: 2023-11-22)
Primary citation	Wang, Y.L.,Liu, S.,Yu, Z.J.,Lei, Y.,Huang, M.Y.,Yan, Y.H.,Ma, Q.,Zheng, Y.,Deng, H.,Sun, Y.,Wu, C.,Yu, Y.,Chen, Q.,Wang, Z.,Wu, Y.,Li, G.B. Structure-Based Development of (1-(3'-Mercaptopropanamido)methyl)boronic Acid Derived Broad-Spectrum, Dual-Action Inhibitors of Metallo- and Serine-beta-lactamases. J.Med.Chem., 62:7160-7184, 2019 Cited by PubMed: 31269398 DOI: 10.1021/acs.jmedchem.9b00735 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.9 Å)

Structure validation