9GIL

Crystal structure of SARS-CoV-2 Mpro with compound 12

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, B (A, B)	3C-like proteinase nsp5	polymer	306	33825.5	2	UniProt (P0DTC1) 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, G (A, B)	(7~{R},11~{R},19~{E})-11-[(4-chlorophenyl)methyl]-13-oxa-3,10,23-triazatricyclo[19.3.1.0^{3,7}]pentacosa-1(24),19,21(25),22-tetraene-2,9,12-trione	non-polymer		510.0	2	Chemie (A1IL7)
3	D, I, K, L, M... (A, B)	SULFATE ION	non-polymer		96.1	7	Chemie (SO4)
4	E, H, J, O, P (A, B)	GLYCEROL	non-polymer		92.1	5	Chemie (GOL)
5	F, Q (A, B)	1,2-ETHANEDIOL	non-polymer		62.1	2	Chemie (EDO)
6	S, T (A, B)	water	water		18.0	455	Chemie (HOH)

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	67651.1
Non-Polymers*	Number of molecules	16
	Total formula weight	2277.1
All*	Total formula weight	69928.2

*Water molecules are not included.