7GK7

Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with EDG-MED-ba1ac7b9-21 (Mpro-P0805)

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (A, B)	3C-like proteinase	polymer	306	33825.5	2	UniProt (P0DTD1) Pfam (PF05409)	Severe acute respiratory syndrome coronavirus 2	3CL-PRO, 3CLp, Main protease, Mpro, Non-structural protein 5, nsp5, SARS coronavirus main proteinase
2	C, D, E, F, I... (A, B)	DIMETHYL SULFOXIDE	non-polymer		78.1	8	Chemie (DMS)
3	G (A)	CHLORIDE ION	non-polymer		35.5	1	Chemie (CL)
4	H (A)	(4S)-6-chloro-4-(2-{(2R)-2-[(1H-imidazol-1-yl)methyl]pyrrolidin-1-yl}-2-oxoethyl)-N-(isoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide	non-polymer		530.0	1	Chemie (QU9)
5	M, N (A, B)	water	water		18.0	302	Chemie (HOH)

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	67651.1
Non-Polymers*	Number of molecules	10
	Total formula weight	1190.5
All*	Total formula weight	68841.6

*Water molecules are not included.