7QBB

Crystal Structure of SARS-CoV-2 main protease (Nsp5) in complex with compound 18

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	3C-like proteinase nsp5	polymer	306	33825.5	1	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	DIMETHYL SULFOXIDE	non-polymer		78.1	2	Chemie (DMS)
3	A	7-isoquinolin-4-yl-2-phenyl-5,7-diazaspiro[3.4]octane-6,8-dione	non-polymer		343.4	1	Chemie (V1B)
4		water	water		18.0	18	Chemie (HOH)

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	33825.5
Non-Polymers*	Number of molecules	3
	Total formula weight	499.6
All*	Total formula weight	34325.2

*Water molecules are not included.