7ENE

Crystal structure of MERS-CoV 3CLpro in complex with the non-covalent inhibitor WU-04

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)	ORF1a protein	polymer	306	33354.2	4	UniProt (A0A0A7E693) Pfam (PF05409) UniProt (by SIFTS) (K9N7C7)	Middle East respiratory syndrome coronavirus
2	E, F, G, H (A, B, C, D)	~{N}-[(1~{S},2~{R})-2-[[4-bromanyl-2-(methylcarbamoyl)-6-nitro-phenyl]amino]cyclohexyl]isoquinoline-4-carboxamide	non-polymer		526.4	4	Chemie (J7R)

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	133416.7
Non-Polymers*	Number of molecules	4
	Total formula weight	2105.5
All*	Total formula weight	135522.2

*Water molecules are not included.