8U9V

Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI101

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) 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	N-{(2R)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-4-methyl-N~2~-{[(pyridin-3-yl)methoxy]carbonyl}-L-leucinamide	non-polymer		420.5	1	Chemie (W1C)
3	A	DIMETHYL SULFOXIDE	non-polymer		78.1	1	Chemie (DMS)
4		water	water		18.0	264	Chemie (HOH)

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	33825.5
Non-Polymers*	Number of molecules	2
	Total formula weight	498.6
All*	Total formula weight	34324.2

*Water molecules are not included.