9XHC

Structure of SARS-CoV-2 Mpro complexed with 5bf

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 (A)	3C-like proteinase nsp5	polymer	306	33825.5	1	UniProt (P0DTD1) Pfam (PF05409)	Severe acute respiratory syndrome coronavirus 2	3CL-PRO,3CLp,Main protease,Mpro,Non-structural protein 5,nsp5,SARS coronavirus main proteinase
2	B (A)	DIMETHYL SULFOXIDE	non-polymer		78.1	1	Chemie (DMS) PubChem (679)
3	C (A)	1-[(2~{S},4~{S})-6-bromanyl-1-(2-chloranylethanoyl)-2-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2~{H}-quinolin-4-yl]azepan-2-one	non-polymer		565.9	1	Chemie (A1MCK)
4	D (A)	water	water		18.0	349	Chemie (HOH)

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	33825.5
Non-Polymers*	Number of molecules	2
	Total formula weight	644.0
All*	Total formula weight	34469.6

*Water molecules are not included.