7SH9

Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI86

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	33873.5	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	benzyl [(2S,3R)-1-({(2S)-1-[2-acetyl-2-(3-amino-3-oxopropyl)hydrazinyl]-3-cyclohexyl-1-oxopropan-2-yl}amino)-3-tert-butoxy-1-oxobutan-2-yl]carbamate (non-preferred name)	non-polymer		589.7	1	Chemie (9HA)
3		water	water		18.0	235	Chemie (HOH)

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	33873.5
Non-Polymers*	Number of molecules	1
	Total formula weight	589.7
All*	Total formula weight	34463.3

*Water molecules are not included.