7UJG

Room-temperature X-ray structure of monomeric SARS-CoV-2 main protease catalytic domain (MPro1-196) in complex with GC-376

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	191	21040.1	2	UniProt (P0DTC1) Pfam (PF05409) UniProt (by SIFTS) (P0DTD1)	Severe acute respiratory syndrome coronavirus 2	3CL-PRO,3CLp,Main protease,Mpro,Non-structural protein 5,nsp5,SARS coronavirus main proteinase
2	C, D (A, B)	(1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid	non-polymer		485.6	2	BIRD (PRD_002495) Chemie (K36)
3	E, F (A, B)	water	water		18.0	192	Chemie (HOH)

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	42080.2
Non-Polymers*	Number of molecules	2
	Total formula weight	971.1
All*	Total formula weight	43051.3

*Water molecules are not included.