7QL8

SARS-COV2 Main Protease in complex with inhibitor MG78

Summary for 7QL8

Entry DOI	10.2210/pdb7ql8/pdb
Descriptor	3C-like proteinase nsp5, (1R,2S,5S)-N-{(2S,3R)-4-amino-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, CHLORIDE ION, ... (5 entities in total)
Functional Keywords	inhibitor complex, sars-cov2, viral protein
Biological source	Severe acute respiratory syndrome coronavirus 2
Total number of polymer chains	1
Total formula weight	33925.09
Authors	El Kilani, H.,Hilgenfeld, R. (deposition date: 2021-12-19, release date: 2022-04-27, Last modification date: 2024-01-31)
Primary citation	Gohl, M.,Zhang, L.,El Kilani, H.,Sun, X.,Zhang, K.,Bronstrup, M.,Hilgenfeld, R. From Repurposing to Redesign: Optimization of Boceprevir to Highly Potent Inhibitors of the SARS-CoV-2 Main Protease. Molecules, 27:-, 2022 Cited by PubMed: 35807537 DOI: 10.3390/molecules27134292 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.807 Å)

Structure validation