7GIH

Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with RAL-THA-2d450e86-16 (Mpro-P0075)

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	306	33825.5	2	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	C, D, E, G, H... (A, B)	DIMETHYL SULFOXIDE	non-polymer		78.1	12	Chemie (DMS)
3	F, L (A, B)	2-(3,5-difluorophenyl)-N-(isoquinolin-4-yl)acetamide	non-polymer		298.3	2	Chemie (QG3)
4	Q, R (A, B)	water	water		18.0	418	Chemie (HOH)

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	67651.1
Non-Polymers*	Number of molecules	14
	Total formula weight	1534.2
All*	Total formula weight	69185.3

*Water molecules are not included.