9UOP

Crystal structure of CCoV-HuPn-2018 3CL protease (3CLpro) in complex with compound 8

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 (A, B, C, D)	3C-like protease	polymer	302	33037.3	4	UniProt (A0A8F2ZG71) Pfam (PF05409)	Canine coronavirus 2
2	E, F, G, H (A, B, C, D)	(2~{S})-2-[[(2~{S})-3,3-dimethyl-2-[2,2,2-tris(fluoranyl)ethanoylamino]butanoyl]amino]-4-methyl-~{N}-[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]pentanamide	non-polymer		478.5	4	Chemie (A1EPZ)
3	I, J, K, L (A, B, C, D)	water	water		18.0	798	Chemie (HOH)

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	132149.0
Non-Polymers*	Number of molecules	4
	Total formula weight	1914.0
All*	Total formula weight	134063.1

*Water molecules are not included.