9T52

Crystal structure of SARS-CoV-2 Mpro in complex with RK-452

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, C, D (A, B, C, D)	3C-like proteinase nsp5	polymer	306	33825.5	4	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	E, F, G, H (A, B, C, D)	~{N}-[(3~{S},6~{S},7~{R},13~{Z})-7-oxidanyl-4,8-bis(oxidanylidene)-6-[[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]methyl]-5,9-diazabicyclo[14.3.1]icosa-1(19),13,16(20),17-tetraen-3-yl]-2-phenyl-ethanamide	non-polymer		548.7	4	Chemie (A1JTT)
3	I, J, K, L (A, B, C, D)	water	water		18.0	633	Chemie (HOH)

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	135302.2
Non-Polymers*	Number of molecules	4
	Total formula weight	2194.7
All*	Total formula weight	137496.9

*Water molecules are not included.