7DGG

The co-crystal structure of SARS-CoV-2 main protease with (S)-2-cinnamamido-N-((S)-1-oxo-3-((S)-2-oxopyrrolidin-3-yl)propan-2-yl)hexanamide

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	306	33825.5	2	UniProt (P0DTC1) Pfam (PF05409) UniProt (by SIFTS) (P0DTD1) In PDB	Severe acute respiratory syndrome coronavirus 2 (2019-nCoV)	main protease
2	A, B	(2~{S})-~{N}-[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-2-[[(~{E})-3-phenylprop-2-enoyl]amino]hexanamide	non-polymer		399.5	2	Chemie (H63)
3		water	water		18.0	351	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	799.0
All*	Total formula weight	68450.1

*Water molecules are not included.