9SSO

Crystal structure of SARS-CoV-2 Mpro in complex with RK-496

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, D (A, B)	1-[(3~{S},6~{S},7~{R})-7-oxidanyl-4,8-bis(oxidanylidene)-6-[[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]methyl]-5,9-diazabicyclo[14.3.1]icosa-1(19),16(20),17-trien-3-yl]-3-[2,2,2-tris(fluoranyl)ethyl]urea	non-polymer		555.6	2	Chemie (A1JQY)
3	E, F (A, B)	water	water		18.0	269	Chemie (HOH)

Sequence modifications

A, B: 1 - 303 (UniProt: P0DTC1)

PDB	External Database	Details
Thr 304	-	expression tag
Phe 305	-	expression tag
Gln 306	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	67651.1
Non-Polymers*	Number of molecules	2
	Total formula weight	1111.2
All*	Total formula weight	68762.3

*Water molecules are not included.