9X7I

Crystal of CCoV-HuPn-2018 3CL protease (3CLpro) in complex with compound 3

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, B, C, D, E... (A, B, C, D, E...)	3C-like protease	polymer	302	33037.3	8	UniProt (A0A8F2ZG71)	Canine coronavirus 2
2	I, J, K, L, M... (A, B, C, D, E...)	(1~{R},2~{S},5~{S})-~{N}-[(2~{S})-1-azanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-3-[(2~{S})-3,3-dimethyl-2-(methylsulfonylamino)butanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide	non-polymer		483.6	8	Chemie (A1D7N)
3	Q, R, S, T, U... (A, B, C, D, E...)	water	water		18.0	154	Chemie (HOH)

Contents of the asymmetric unit

Polymers	Number of chains	8
	Total formula weight	264298.1
Non-Polymers*	Number of molecules	8
	Total formula weight	3869.0
All*	Total formula weight	268167.1

*Water molecules are not included.