4XBC

1.60 A resolution structure of Norovirus 3CL protease complex with a covalently bound dipeptidyl inhibitor (1R,2S)-2-({N-[(benzyloxy)carbonyl]-3-cyclohexyl-L-alanyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid (Hexagonal Form)

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	3C-LIKE PROTEASE	polymer	188	20126.1	1	UniProt (Q83883) In PDB	Norwalk virus (strain GI/Human/United States/Norwalk/1968) (Hu/NV/NV/1968/US)
2	A	(1R,2S)-2-({N-[(benzyloxy)carbonyl]-3-cyclohexyl-L-alanyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid	non-polymer		525.6	1	Chemie (M40)
3	A	TETRAETHYLENE GLYCOL	non-polymer		194.2	1	Chemie (PG4)
4		water	water		18.0	160	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	719.8
All*	Total formula weight	20846.0

*Water molecules are not included.