7P35

Structure of the SARS-CoV-2 3CL protease in complex with rupintrivir

This is a non-PDB format compatible entry.

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	AAA, BBB	3C-like proteinase	polymer	306	33825.5	2	UniProt (A0A7L9RWV7) In PDB	Severe acute respiratory syndrome coronavirus 2 (2019-nCoV SARS-CoV-2)	Growth factor-like peptide,Guanine-N7 methyltransferase,Helicase,Host translation inhibitor nsp1,Leader protein,NendoU,Non-structural protein 10,Non-structural protein 2,Non-structural protein 3,Non-structural protein 4,Non-structural protein 6,Non-structural protein 7,Non-structural protein 8,Non-structural protein 9,ORF1ab polyprotein,Papain-like proteinase,RNA-directed RNA polymerase,Replicase polyprotein 1ab,Uridylate-specific endoribonuclease,p65 homolog
2	AAA, BBB	4-{2-(4-FLUORO-BENZYL)-6-METHYL-5-[(5-METHYL-ISOXAZOLE-3-CARBONYL)-AMINO]-4-OXO-HEPTANOYLAMINO}-5-(2-OXO-PYRROLIDIN-3-YL)-PENTANOIC ACID ETHYL ESTER	non-polymer		600.7	2	Chemie (AG7)
3		water	water		18.0	34	Chemie (HOH)

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	67651.1
Non-Polymers*	Number of molecules	2
	Total formula weight	1201.4
All*	Total formula weight	68852.4

*Water molecules are not included.