5E0G

1.20 A resolution structure of Norovirus 3CL protease in complex with a triazole-based macrocyclic (17-mer) inhibitor

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	Norovirus 3C-like protease	polymer	188	20126.1	1	UniProt (Q83883) In PDB	Norwalk virus (Hu/NV/NV/1968/US)
2	A	CHLORIDE ION	non-polymer		35.5	1	Chemie (CL)
3	A	(phenylmethyl) ~{N}-[(8~{S},11~{S},14~{S})-8-(hydroxymethyl)-11-(2-methylpropyl)-5,10,13-tris(oxidanylidene)-1,4,9,12,17,18-hexazabicyclo[14.2.1]nonadeca-16(19),17-dien-14-yl]carbamate	non-polymer		543.6	1	BIRD (PRD_002201) Chemie (5LG)
4		water	water		18.0	165	Chemie (HOH)

Sequence modifications

A: 1 - 181 (UniProt: Q83883)

PDB	External Database	Details
Met -6	-	expression tag
His -5	-	expression tag
His -4	-	expression tag
His -3	-	expression tag
His -2	-	expression tag
His -1	-	expression tag
His 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	579.1
All*	Total formula weight	20705.2

*Water molecules are not included.