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: 32728062DOI: 10.1038/s41598-020-69431-y PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.33 Å) |
Structure validation
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