4XBB

1.85A resolution structure of Norovirus 3CL protease complex with a covalently bound dipeptidyl inhibitor diethyl [(1R,2S)-2-[(N-{[(3-chlorobenzyl)oxy]carbonyl}-3-cyclohexyl-L-alanyl)amino]-1-hydroxy-3-(2-oxo-2H-pyrrol-3-yl)propyl]phosphonate

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	3C-LIKE PROTEASE	polymer	188	20126.1	1	UniProt (Q83883)	Norwalk virus (strain GI/Human/United States/Norwalk/1968) (Hu/NV/NV/1968/US)
2	B (A)	diethyl [(1R,2S)-2-[(N-{[(3-chlorobenzyl)oxy]carbonyl}-3-cyclohexyl-L-alanyl)amino]-1-hydroxy-3-(2-oxo-2H-pyrrol-3-yl)propyl]phosphonate	non-polymer		612.1	1	Chemie (3ZR)
3	C (A)	SULFATE ION	non-polymer		96.1	1	Chemie (SO4)
4	D (A)	water	water		18.0	129	Chemie (HOH)

Sequence modifications

A: 1 - 181 (UniProt: Q83883)

PDB	External Database	Details
His -6	-	expression tag
His -5	-	expression tag
His -4	-	expression tag
His -3	-	expression tag
His -2	-	expression tag
His -1	-	expression tag
Met 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	20126.1
Non-Polymers*	Number of molecules	2
	Total formula weight	708.1
All*	Total formula weight	20834.2

*Water molecules are not included.