12AF

Crystal Structure of SARS-CoV-2 Mpro with UM-067

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)	GLYCEROL	non-polymer		92.1	1	Chemie (GOL) PubChem (753)
3	C (A)	N-(trifluoroacetyl)-D-phenylalanyl-3-cyclopropyl-N-{(1Z,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-alaninamide	non-polymer		509.5	1	Chemie (A1DA8)
4	D (A)	SODIUM ION	non-polymer		23.0	1	Chemie (NA) PubChem (923)
5	E (A)	water	water		18.0	211	Chemie (HOH)

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	33825.5
Non-Polymers*	Number of molecules	3
	Total formula weight	624.6
All*	Total formula weight	34450.2

*Water molecules are not included.