6TGD

Crystal structure of NDM-1 in complex with triazole-based inhibitor OP31

Summary for 6TGD

Entry DOI	10.2210/pdb6tgd/pdb
Descriptor	Metallo-beta-lactamase NDM-1, ZINC ION, CALCIUM ION, ... (5 entities in total)
Functional Keywords	new delhi metallo-beta-lactamase, hydrolase
Biological source	Pseudomonas aeruginosa
Total number of polymer chains	2
Total formula weight	51895.86
Authors	Maso, L.,Spirakis, F.,Santucci, M.,Simon, C.,Docquier, J.D.,Cruciani, G.,Costi, M.P.,Tondi, D.,Cendron, L. (deposition date: 2019-11-15, release date: 2020-08-26, Last modification date: 2024-01-24)
Primary citation	Spyrakis, F.,Santucci, M.,Maso, L.,Cross, S.,Gianquinto, E.,Sannio, F.,Verdirosa, F.,De Luca, F.,Docquier, J.D.,Cendron, L.,Tondi, D.,Venturelli, A.,Cruciani, G.,Costi, M.P. Virtual screening identifies broad-spectrum beta-lactamase inhibitors with activity on clinically relevant serine- and metallo-carbapenemases. Sci Rep, 10:12763-12763, 2020 Cited by PubMed: 32728062 DOI: 10.1038/s41598-020-69431-y PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.33 Å)

Structure validation