5NAI

mono-Zinc VIM-5 metallo-beta-lactamase in complex with (1-chloro-4-hydroxyisoquinoline-3-carbonyl)-D-tryptophan (Compound 1)

Summary for 5NAI

Entry DOI	10.2210/pdb5nai/pdb
Descriptor	Class B metallo-beta-lactamase, ZINC ION, (2~{R})-2-[(1-chloranyl-4-oxidanyl-isoquinolin-3-yl)carbonylamino]-3-(1~{H}-indol-3-yl)propanoic acid, ... (6 entities in total)
Functional Keywords	metallo-beta-lactamase, inhibitor, complex, antibiotic resistance, hydrolase
Biological source	Klebsiella pneumoniae
Total number of polymer chains	1
Total formula weight	28836.63
Authors	Li, G.-B.,Brem, J.,McDonough, M.A.,Schofield, C.J. (deposition date: 2017-02-28, 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 (1.15 Å)

Structure validation