7VVT

SARS-CoV-2 3CL protease (3CLpro) in complex with a covalent inhibitor

Summary for 7VVT

Entry DOI	10.2210/pdb7vvt/pdb
Descriptor	3C-like proteinase, N-(3-chlorophenyl)-2-[(2R)-1-ethanoyl-3-oxidanylidene-piperazin-2-yl]ethanamide (3 entities in total)
Functional Keywords	main protease, covalent inhibitor, viral protein-inhibitor complex, viral inhibitor-complex complex, viral inhibitor/complex
Biological source	Severe acute respiratory syndrome coronavirus 2 (2019-nCoV)
Total number of polymer chains	2
Total formula weight	68270.59
Authors	Su, H.,Nie, T.,Li, M.,Xu, Y. (deposition date: 2021-11-08, release date: 2022-03-02, Last modification date: 2023-11-29)
Primary citation	Xiong, M.,Nie, T.,Shao, Q.,Li, M.,Su, H.,Xu, Y. In silico screening-based discovery of novel covalent inhibitors of the SARS-CoV-2 3CL protease. Eur.J.Med.Chem., 231:114130-114130, 2022 Cited by PubMed: 35114541 DOI: 10.1016/j.ejmech.2022.114130 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.51 Å)

Structure validation