4X6T

M.tuberculosis betalactamase complexed with inhibitor EC19

Summary for 4X6T

Entry DOI	10.2210/pdb4x6t/pdb
Descriptor	Beta-lactamase, PHOSPHATE ION, 3-[(2R)-2-(dihydroxyboranyl)-2-{[(2R)-2-{[(4-ethyl-2,3-dioxo-3,4-dihydropyrazin-1(2H)-yl)carbonyl]amino}-2-(4-hydroxyphenyl)acetyl]amino}ethyl]benzoic acid, ... (4 entities in total)
Functional Keywords	beta-lactamase, transition state inhibitor, structure based drug development, beta-lactams, boronates, penicillin binding protein., hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
Biological source	Mycobacterium tuberculosis
Cellular location	Cell inner membrane : P9WKD3
Total number of polymer chains	1
Total formula weight	29317.72
Authors	Hazra, S. (deposition date: 2014-12-09, release date: 2015-12-23, Last modification date: 2023-09-27)
Primary citation	Kurz, S.G.,Hazra, S.,Bethel, C.R.,Romagnoli, C.,Caselli, E.,Prati, F.,Blanchard, J.S.,Bonomo, R.A. Inhibiting the beta-Lactamase of Mycobacterium tuberculosis (Mtb) with Novel Boronic Acid Transition-State Inhibitors (BATSIs). ACS Infect Dis, 1:234-242, 2015 Cited by PubMed: 27622739 DOI: 10.1021/acsinfecdis.5b00003 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.4 Å)

Structure validation