8HUS

Crystal structure of SARS main protease in complex with S217622

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 nsp5	polymer	298	33066.8	2	UniProt (P0C6U8) Pfam (PF05409) UniProt (by SIFTS) (P0C6X7) In PDB	Severe acute respiratory syndrome-related coronavirus (SARS-CoV)	3CL-PRO,3CLp,Main protease,Mpro,Non-structural protein 5,nsp5,SARS coronavirus main proteinase
2	A, B	6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione	non-polymer		531.9	2	Chemie (7YY)
3		water	water		18.0	90	Chemie (HOH)

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	66133.5
Non-Polymers*	Number of molecules	2
	Total formula weight	1063.8
All*	Total formula weight	67197.3

*Water molecules are not included.