6BIC

2.25 A resolution structure of Norovirus 3CL protease in complex with a triazole-based macrocyclic inhibitor

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 (Hu/NV/NV/1968/US)
2	C, D (A, B)	(phenylmethyl) ~{N}-[(9~{S},12~{S},15~{S})-9-(hydroxymethyl)-12-(2-methylpropyl)-6,11,14-tris(oxidanylidene)-1,5,10,13,18,19-hexazabicyclo[15.2.1]icosa-17(20),18-dien-15-yl]carbamate	non-polymer		557.6	2	BIRD (PRD_002202) Chemie (5LH)
3	E, F (A, B)	water	water		18.0	43	Chemie (HOH)

Sequence modifications

A, B: 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	2
	Total formula weight	40252.3
Non-Polymers*	Number of molecules	2
	Total formula weight	1115.3
All*	Total formula weight	41367.5

*Water molecules are not included.