6B1X

Crystal structure KPC-2 beta-lactamase complexed with WCK 5153 by soaking

Summary for 6B1X

• Entry DOI: 10.2210/pdb6b1x/pdb
• Related: 6B1J
• Descriptor: Carbapenem-hydrolyzing beta-lactamase KPC, (2S,5R)-1-formyl-N'-[(3R)-pyrrolidine-3-carbonyl]-5-[(sulfooxy)amino]piperidine-2-carbohydrazide, CITRIC ACID, ... (5 entities in total)
• Functional Keywords: inhibitor, complex, hydrolase, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
• Biological source: Klebsiella pneumoniae
• Total number of polymer chains: 2
• Total formula weight: 58337.41

Authors

van den Akker, F.,Nguyen, N.Q. (deposition date: 2017-09-19, release date: 2018-08-01)

• Primary citation: Papp-Wallace, K.M.,Nguyen, N.Q.,Jacobs, M.R.,Bethel, C.R.,Barnes, M.D.,Kumar, V.,Bajaksouzian, S.,Rudin, S.D.,Rather, P.N.,Bhavsar, S.,Ravikumar, T.,Deshpande, P.K.,Patil, V.,Yeole, R.,Bhagwat, S.S.,Patel, M.V.,van den Akker, F.,Bonomo, R.A.; Strategic Approaches to Overcome Resistance against Gram-Negative Pathogens Using beta-Lactamase Inhibitors and beta-Lactam Enhancers: Activity of Three Novel Diazabicyclooctanes WCK 5153, Zidebactam (WCK 5107), and WCK 4234.; J. Med. Chem., 61:4067-4086, 2018; PubMed: 29627985; DOI: 10.1021/acs.jmedchem.8b00091

Experimental method

X-RAY DIFFRACTION (1.45 Å)