9PAD

Crystal structure of IBV-3CLpro with ALG-097608 (Inhibitor 1)

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)	ORF1ab polyprotein	polymer	307	33459.0	2	UniProt (A0A1P8SSX4)	Infectious bronchitis virus
2	C, D (A, B)	(1R,2R,3S,6S,7S)-4-[(2S)-3,3-dimethyl-2-(2,2,2-trifluoroacetamido)butanoyl]-10,10-difluoro-N-{(1E,2R)-1-imino-3-[(3R)-2-oxo-3,4-dihydro-2H-pyrrol-3-yl]propan-2-yl}-4-azatricyclo[5.2.1.0~2,6~]decane-3-carboxamide (non-preferred name)	non-polymer		561.5	2	Chemie (A1CHF)
3	E, F (A, B)	water	water		18.0	763	Chemie (HOH)

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	66918.0
Non-Polymers*	Number of molecules	2
	Total formula weight	1123.1
All*	Total formula weight	68041.1

*Water molecules are not included.