8DSU

Crystal Structure of SARS CoV-2 Mpro with Pfizer Intravenous Inhibitor PF-00835231

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (A, B)	3C-like proteinase nsp5	polymer	306	33825.5	2	UniProt (P0DTD1) Pfam (PF05409)	Severe acute respiratory syndrome coronavirus 2	3CL-PRO,3CLp,Main protease,Mpro,Non-structural protein 5,nsp5,SARS coronavirus main proteinase
2	C, F (A, B)	GLYCEROL	non-polymer		92.1	2	Chemie (GOL)
3	D, H (A, B)	N-[(2S)-1-({(2S,3S)-3,4-dihydroxy-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide	non-polymer		474.6	2	Chemie (V2M)
4	E, G (B)	DIMETHYL SULFOXIDE	non-polymer		78.1	2	Chemie (DMS)
5	I, J (A, B)	water	water		18.0	585	Chemie (HOH)

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	67651.1
Non-Polymers*	Number of molecules	6
	Total formula weight	1289.6
All*	Total formula weight	68940.6

*Water molecules are not included.