7GRW

Crystal structure of SARS-CoV-2 main protease in complex with cpd-19

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 nsp5	polymer	306	33825.5	2	UniProt (P0DTD1) Pfam (PF05409)	Severe acute respiratory syndrome coronavirus 2 (2019-nCoV SARS-CoV-2)	3CL-PRO,3CLp,Main protease,Mpro,Non-structural protein 5,nsp5,SARS coronavirus main proteinase
2	C, E, F, G, H... (A, B)	DIMETHYL SULFOXIDE	non-polymer		78.1	10	Chemie (DMS)
3	D, M (A, B)	(2S)-N-(3,5-dichlorophenyl)-2-hydroxypropanamide	non-polymer		234.1	2	Chemie (XZX)
4	I, P (A, B)	SODIUM ION	non-polymer		23.0	2	Chemie (NA)
5	Q, R (A, B)	water	water		18.0	377	Chemie (HOH)

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	67651.1
Non-Polymers*	Number of molecules	14
	Total formula weight	1295.5
All*	Total formula weight	68946.6

*Water molecules are not included.