39PL

SARS-CoV-2 Main Protease with Secutrelvir

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	A (A)	3C-like proteinase nsp5	polymer	305	33697.4	1	UniProt (P0DTD1)	Severe acute respiratory syndrome coronavirus 2	3CL-PRO,3CLp,Main protease,Mpro,Non-structural protein 5,nsp5,SARS coronavirus main proteinase
2	B (A)	1-(2-azanylideneethyl)-6-[6,6-bis(fluoranyl)-2-azaspiro[3.3]heptan-2-yl]-5-(3-chloranyl-4-fluoranyl-phenyl)-3-(5-chloranylpyridin-3-yl)pyrimidine-2,4-dione	non-polymer		524.3	1	Chemie (A1L7R)
3	C (A)	1,2-ETHANEDIOL	non-polymer		62.1	1	Chemie (EDO)
4	D (A)	water	water		18.0	169	Chemie (HOH)

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	33697.4
Non-Polymers*	Number of molecules	2
	Total formula weight	586.4
All*	Total formula weight	34283.8

*Water molecules are not included.