9UOR

Crystal structure of IBV 3CL protease (3CLpro) in complex with compound 8

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	polymer	307	33498.9	2	UniProt (P0C6V3) Pfam (PF05409)	Avian infectious bronchitis virus (strain Beaudette)	3CL-PRO,3CLp,Main protease,Mpro,Non-structural protein 5,nsp5,p33
2	C, D (A, B)	(2~{S})-2-[[(2~{S})-3,3-dimethyl-2-[2,2,2-tris(fluoranyl)ethanoylamino]butanoyl]amino]-4-methyl-~{N}-[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]pentanamide	non-polymer		478.5	2	Chemie (A1EPZ)
3	E, F (A, B)	water	water		18.0	419	Chemie (HOH)

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	66997.7
Non-Polymers*	Number of molecules	2
	Total formula weight	957.0
All*	Total formula weight	67954.8

*Water molecules are not included.