7CA8

The crystal structure of COVID-19 main protease in complex with an inhibitor Shikonin

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	polymer	298	32974.6	2	UniProt (P0DTD1) Pfam (PF05409) In PDB	Severe acute respiratory syndrome coronavirus 2 (2019-nCoV)	pp1ab,ORF1ab polyprotein
2	A	2-[(1R)-4-methyl-1-oxidanyl-pent-3-enyl]-5,8-bis(oxidanyl)naphthalene-1,4-dione	non-polymer		288.3	1	Chemie (FNO)
3		water	water		18.0	41	Chemie (HOH)

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	65949.2
Non-Polymers*	Number of molecules	1
	Total formula weight	288.3
All*	Total formula weight	66237.5

*Water molecules are not included.