4XBD

1.45A 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 (Orthorhombic P Form)

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 PROTEASE	polymer	188	20126.1	2	UniProt (Q83883)	Norwalk virus (strain GI/Human/United States/Norwalk/1968) (Hu/NV/NV/1968/US)
2	C, D (A, B)	(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	2	Chemie (M40)
3	E, F (A, B)	water	water		18.0	218	Chemie (HOH)

Sequence modifications

A, B: 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	2
	Total formula weight	40252.3
Non-Polymers*	Number of molecules	2
	Total formula weight	1051.2
All*	Total formula weight	41303.5

*Water molecules are not included.