7GBK

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 ALP-POS-95b75b4d-2 (Mpro-x10359)

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	3C-like proteinase	polymer	306	33825.5	1	UniProt (P0DTD1) Pfam (PF05409) In PDB	Severe acute respiratory syndrome coronavirus 2	3CL-PRO, 3CLp, Main protease, Mpro, Non-structural protein 5, nsp5, SARS coronavirus main proteinase
2	A	2-(3-hydroxyphenyl)-N-(4-methylpyridin-3-yl)acetamide	non-polymer		242.3	1	Chemie (KXF)
3	A	DIMETHYL SULFOXIDE	non-polymer		78.1	3	Chemie (DMS)
4		water	water		18.0	324	Chemie (HOH)

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	33825.5
Non-Polymers*	Number of molecules	4
	Total formula weight	476.7
All*	Total formula weight	34302.2

*Water molecules are not included.