7RN4

Room temperature X-ray structure of SARS-CoV-2 main protease (Mpro) in complex with HL-3-69

Summary for 7RN4

Entry DOI	10.2210/pdb7rn4/pdb
Related	7RMZ
Descriptor	3C-like proteinase, 6-[4-(3,4-dichlorophenyl)piperidine-1-carbonyl]pyrimidine-2,4(1H,3H)-dione (3 entities in total)
Functional Keywords	cysteine protease, inhibitor complex, hydrolase, hydrolase-inhibitor complex, hydrolase/inhibitor
Biological source	Severe acute respiratory syndrome coronavirus 2 (2019-nCoV, SARS-CoV-2)
Total number of polymer chains	1
Total formula weight	34193.76
Authors	Kovalevsky, A.,Kneller, D.W.,Coates, L. (deposition date: 2021-07-29, release date: 2021-11-10, Last modification date: 2023-10-18)
Primary citation	Kneller, D.W.,Li, H.,Galanie, S.,Phillips, G.,Labbe, A.,Weiss, K.L.,Zhang, Q.,Arnould, M.A.,Clyde, A.,Ma, H.,Ramanathan, A.,Jonsson, C.B.,Head, M.S.,Coates, L.,Louis, J.M.,Bonnesen, P.V.,Kovalevsky, A. Structural, Electronic, and Electrostatic Determinants for Inhibitor Binding to Subsites S1 and S2 in SARS-CoV-2 Main Protease. J.Med.Chem., 64:17366-17383, 2021 Cited by PubMed: 34705466 DOI: 10.1021/acs.jmedchem.1c01475 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.85 Å)

Structure validation