6TD1

Crystal structure of VNRX-5133 (taniborbactam) bound to KPC-2

Summary for 6TD1

Entry DOI	10.2210/pdb6td1/pdb
Descriptor	Carbapenem-hydrolyzing beta-lactamase KPC, GLYCEROL, (3~{R})-3-[2-[4-(2-azanylethylamino)cyclohexyl]ethanoylamino]-2-oxidanyl-3,4-dihydro-1,2-benzoxaborinine-8-carboxylic acid, ... (5 entities in total)
Functional Keywords	inhibitor, boronate, beta-lactamase, antimicrobial protein
Biological source	Klebsiella pneumoniae
Total number of polymer chains	1
Total formula weight	31480.11
Authors	Tooke, C.L.,Hinchliffe, P.,Spencer, J. (deposition date: 2019-11-07, release date: 2020-01-22, Last modification date: 2024-01-24)
Primary citation	Tooke, C.L.,Hinchliffe, P.,Krajnc, A.,Mulholland, A.J.,Brem, J.,Schofield, C.J.,Spencer, J. Cyclic boronates as versatile scaffolds for KPC-2 beta-lactamase inhibition. Rsc Med Chem, 11:491-496, 2020 Cited by PubMed: 33479650 DOI: 10.1039/c9md00557a PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.2 Å)

Structure validation