8Y4F

Crystal structure of HCoV 229E main protease in complex with Bofutrelvir

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (A, B)	3C-like proteinase	polymer	298	32714.2	2	UniProt (P0C6X1) Pfam (PF05409)	Human coronavirus 229E (HCoV-229E)	3CL-PRO,3CLp,M-PRO,nsp5,p34
2	C, D (A, B)	~{N}-[(2~{S})-3-cyclohexyl-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]propan-2-yl]-1~{H}-indole-2-carboxamide	non-polymer		452.5	2	BIRD (PRD_002347) Chemie (FHR)
3	E, F (A, B)	water	water		18.0	367	Chemie (HOH)

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	65428.3
Non-Polymers*	Number of molecules	2
	Total formula weight	905.1
All*	Total formula weight	66333.4

*Water molecules are not included.