7XRS

Crystal structure of SARS-Cov-2 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 (A, B)	Replicase polyprotein 1a	polymer	299	33148.8	2	UniProt (P0DTC1) Pfam (PF05409) UniProt (by SIFTS) (P0DTD1)	Severe acute respiratory syndrome coronavirus 2	pp1a,ORF1a polyprotein
2	C, D (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	E, F (A, B)	water	water		18.0	71	Chemie (HOH)

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	66297.7
Non-Polymers*	Number of molecules	2
	Total formula weight	1151.4
All*	Total formula weight	67449.0

*Water molecules are not included.