9T0R

Crystal structure of SARS-CoV-2 Mpro in complex with GK729

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 (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	E, F, G, H (A, B, C, D)	(phenylmethyl) ~{N}-[(2~{S})-1-[[(1~{S},2~{S})-1-[4-(1-methoxyethenyl)-1,3-thiazol-2-yl]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate	non-polymer		544.7	4	Chemie (A1JSW)
3	I, J, K, L (A, B, C, D)	water	water		18.0	655	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	2178.7
All*	Total formula weight	137480.8

*Water molecules are not included.