7XRY

Crystal structure of MERS main protease in complex with inhibitor YH-53

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	ORF1a	polymer	301	32839.5	2	Pfam (PF05409) UniProt (by SIFTS) (K9N7C7) In PDB	Middle East respiratory syndrome-related coronavirus
2	A, B	N-[(2S)-1-[[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxidanylidene-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-4-methoxy-1H-indole-2-carboxamide	non-polymer		575.7	2	Chemie (HUR)
3		water	water		18.0	203	Chemie (HOH)

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	65679.1
Non-Polymers*	Number of molecules	2
	Total formula weight	1151.4
All*	Total formula weight	66830.4

*Water molecules are not included.