7MBI

Structure of SARS-CoV2 3CL protease covalently bound to peptidomimetic inhibitor

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B, C, D (A, B, C, D)	3C-like proteinase	polymer	306	33825.5	4	UniProt (P0DTD1) Pfam (PF05409)	Severe acute respiratory syndrome coronavirus 2 (2019-nCoV SARS-CoV-2)	3CL-PRO,3CLp,Main protease,Mpro,Non-structural protein 5,nsp5,SARS coronavirus main proteinase
2	E, F, H, I (A, B, C, D)	4-methoxy-N-[(2S)-4-methyl-1-oxo-1-({(2S)-3-oxo-1-[(3S)-2-oxopiperidin-3-yl]butan-2-yl}amino)pentan-2-yl]-1H-indole-2-carboxamide	non-polymer		470.6	4	Chemie (YWJ)
3	G (B)	2,4,6-trimethylpyridine-3-carboxylic acid	non-polymer		165.2	1	Chemie (FN7)
4	J, K, L, M (A, B, C, D)	water	water		18.0	144	Chemie (HOH)

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	135302.2
Non-Polymers*	Number of molecules	5
	Total formula weight	2047.4
All*	Total formula weight	137349.6

*Water molecules are not included.