5LE1
VIM-2 metallo-beta-lactamase in complex with 2-(2-chloro-6-fluorobenzyl)-3-oxoisoindoline-4-carboxylic acid (compound 16)
Summary for 5LE1
Entry DOI | 10.2210/pdb5le1/pdb |
Descriptor | Metallo-beta-lactamase VIM-2, ZINC ION, 2-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-3-oxidanylidene-1~{H}-isoindole-4-carboxylic acid, ... (6 entities in total) |
Functional Keywords | metallo-beta-lactamase, inhibitor, complex, antibiotic resistance, hydrolase |
Biological source | Pseudomonas aeruginosa |
Total number of polymer chains | 1 |
Total formula weight | 29033.58 |
Authors | Li, G.-B.,Brem, J.,McDonough, M.A.,Schofield, C.J. (deposition date: 2016-06-29, release date: 2017-02-15, Last modification date: 2024-01-10) |
Primary citation | Li, G.B.,Abboud, M.I.,Brem, J.,Someya, H.,Lohans, C.T.,Yang, S.Y.,Spencer, J.,Wareham, D.W.,McDonough, M.A.,Schofield, C.J. NMR-filtered virtual screening leads to non-metal chelating metallo-beta-lactamase inhibitors. Chem Sci, 8:928-937, 2017 Cited by PubMed: 28451231DOI: 10.1039/c6sc04524c PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.4 Å) |
Structure validation
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