7Z4S

Crystal structure of SARS-CoV-2 Mpro in complex with cyclic peptide GM4 including unnatural amino acids.

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	3C-like proteinase nsp5	polymer	306	33841.5	2	UniProt (P0DTC1) 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	C, D	Macrocyclic peptide inhibitor	polymer	15	1562.8	2		synthetic construct
3	A, B	DI(HYDROXYETHYL)ETHER	non-polymer		106.1	2	Chemie (PEG)
4	A	DIMETHYL SULFOXIDE	non-polymer		78.1	1	Chemie (DMS)
5	B	1,2-ETHANEDIOL	non-polymer		62.1	2	Chemie (EDO)
6	B	TRIETHYLENE GLYCOL	non-polymer		150.2	1	Chemie (PGE)
7		water	water		18.0	292	Chemie (HOH)

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	70808.7
Non-Polymers*	Number of molecules	6
	Total formula weight	564.7
All*	Total formula weight	71373.4

*Water molecules are not included.