7XAR

Crystal structure of 3C-like protease from SARS-CoV-2 in complex with covalent inhibitor

Summary for 7XAR

Entry DOI	10.2210/pdb7xar/pdb
Descriptor	3C-like proteinase, NICKEL (II) ION, CHLORIDE ION, ... (5 entities in total)
Functional Keywords	3c-like proteinase, main protease, sars-cov-2, chlorofluoroacetamides, targeted covalent inhibitor, viral protein
Biological source	Severe acute respiratory syndrome coronavirus 2
Total number of polymer chains	2
Total formula weight	68942.42
Authors	Caaveiro, J.M.M.,Ochi, J.,Takahashi, D.,Ueda, T.,Ojida, A. (deposition date: 2022-03-18, release date: 2022-11-09, Last modification date: 2023-11-29)
Primary citation	Hirose, Y.,Shindo, N.,Mori, M.,Onitsuka, S.,Isogai, H.,Hamada, R.,Hiramoto, T.,Ochi, J.,Takahashi, D.,Ueda, T.,Caaveiro, J.M.M.,Yoshida, Y.,Ohdo, S.,Matsunaga, N.,Toba, S.,Sasaki, M.,Orba, Y.,Sawa, H.,Sato, A.,Kawanishi, E.,Ojida, A. Discovery of Chlorofluoroacetamide-Based Covalent Inhibitors for Severe Acute Respiratory Syndrome Coronavirus 2 3CL Protease. J.Med.Chem., 65:13852-13865, 2022 Cited by PubMed: 36229406 DOI: 10.1021/acs.jmedchem.2c01081 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.6 Å)

Structure validation