7DML

OXA-48 carbapenemase in complex with (R)-2-(1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborol-3-yl)acrylic acid

Summary for 7DML

Entry DOI	10.2210/pdb7dml/pdb
Descriptor	Beta-lactamase, 2-[(3R)-1-oxidanyl-3H-2,1-benzoxaborol-3-yl]prop-2-enoic acid (3 entities in total)
Functional Keywords	carbapenemase, serine-beta-lactamase, antibiotic, hydrolase
Biological source	Klebsiella pneumoniae
Total number of polymer chains	4
Total formula weight	122574.85
Authors	Li, G.-B.,Yan, Y.-H. (deposition date: 2020-12-04, release date: 2021-12-15, Last modification date: 2023-11-29)
Primary citation	Xiao, Y.C.,Chen, X.P.,Deng, J.,Yan, Y.H.,Zhu, K.R.,Li, G.,Yu, J.L.,Brem, J.,Chen, F.,Schofield, C.J.,Li, G.B. Design and enantioselective synthesis of 3-(alpha-acrylic acid) benzoxaboroles to combat carbapenemase resistance Chem.Commun.(Camb.), 57:7709-7712, 2021 Cited by DOI: 10.1039/D1CC03026D PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.936 Å)

Structure validation