7B2U

Crystal Structure of SARS-CoV-2 main protease (Nsp5) in complex with compound 1

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 nsp5	polymer	306	33825.5	2	UniProt (P0DTD1) Pfam (PF05409) In PDB	Severe acute respiratory syndrome coronavirus 2	3CL-PRO,3CLp,Main protease,Mpro,Non-structural protein 5,nsp5,SARS coronavirus main proteinase
2	A, B	(5S)-5-(cyclohexylmethyl)-3-(5-fluoropyridin-3-yl)imidazolidine-2,4-dione	non-polymer		291.3	2	Chemie (SQ5)
3	A, B	DIMETHYL SULFOXIDE	non-polymer		78.1	9	Chemie (DMS)
4		water	water		18.0	515	Chemie (HOH)

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	67651.1
Non-Polymers*	Number of molecules	11
	Total formula weight	1285.8
All*	Total formula weight	68936.9

*Water molecules are not included.