7JW8

Crystal structure of SARS-CoV-2 3CL protease in complex with compound 4 in space group P1

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B, C, D (A, B, C, D)	3C-like proteinase	polymer	306	33825.5	4	UniProt (P0DTD1) Pfam (PF05409)	Severe acute respiratory syndrome coronavirus 2 (2019-nCoV SARS-CoV-2 COVID-19 virus)	SARS-CoV-2 3CL protease
2	E, G, H, I (A, B, C, D)	ethyl (4R)-4-[[(2S)-4-methyl-2-[[(2S,3R)-3-[(2-methylpropan-2-yl)oxy]-2-(phenylmethoxycarbonylamino)butanoyl]amino]pentanoyl]amino]-5-[(3S)-2-oxidanylidenepyrrolidin-3-yl]pentanoate	non-polymer		632.8	4	Chemie (TG3)
3	F, J (A, D)	2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL	non-polymer		209.2	2	Chemie (BTB)
4	K, L, M, N (A, B, C, D)	water	water		18.0	1020	Chemie (HOH)

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	135302.2
Non-Polymers*	Number of molecules	6
	Total formula weight	2949.6
All*	Total formula weight	138251.8

*Water molecules are not included.