5N4T

VIM-2 metallo-beta-lactamase in complex with ((S)-3-mercapto-2-methylpropanoyl)-L-tryptophan (Compound 4)

Summary for 5N4T

Entry DOI	10.2210/pdb5n4t/pdb
Descriptor	Beta-lactamase VIM-2, ZINC ION, (2~{S})-3-(1~{H}-indol-3-yl)-2-[[(2~{S})-2-methyl-3-sulfanyl-propanoyl]amino]propanoic acid, ... (6 entities in total)
Functional Keywords	metallo-beta-lactamase, inhibitor, complex, antibiotic resistance, hydrolase
Biological source	Pseudomonas aeruginosa
Total number of polymer chains	2
Total formula weight	51208.83
Authors	Li, G.-B.,Brem, J.,McDonough, M.A.,Schofield, C.J. (deposition date: 2017-02-11, release date: 2017-05-17, Last modification date: 2024-01-17)
Primary citation	Li, G.B.,Brem, J.,Lesniak, R.,Abboud, M.I.,Lohans, C.T.,Clifton, I.J.,Yang, S.Y.,Jimenez-Castellanos, J.C.,Avison, M.B.,Spencer, J.,McDonough, M.A.,Schofield, C.J. Crystallographic analyses of isoquinoline complexes reveal a new mode of metallo-beta-lactamase inhibition. Chem. Commun. (Camb.), 53:5806-5809, 2017 Cited by PubMed: 28470248 DOI: 10.1039/c7cc02394d PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.16 Å)

Structure validation