7S6W

Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI29

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	3C-like proteinase	polymer	306	33857.5	2	UniProt (P0DTD1) Pfam (PF05409) In PDB	Severe acute respiratory syndrome coronavirus 2 (2019-nCoV SARS-CoV-2 COVID-19 virus)	Main protease, 3CL protease
2	A, B	(1R,2S,5S)-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide	non-polymer		507.7	2	Chemie (8G9)
3		water	water		18.0	229	Chemie (HOH)

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	67715.1
Non-Polymers*	Number of molecules	2
	Total formula weight	1015.3
All*	Total formula weight	68730.4

*Water molecules are not included.