5TG2

1.75 A resolution structure of Norovirus 3CL protease in complex with the a n-pentyl substituted macrocyclic inhibitor (17-mer)

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 (Hu/NV/NV/1968/US)
2	A	(4S,7S,17R)-7-(hydroxymethyl)-4-(2-methylpropyl)-17-pentyl-1-oxa-3,6,11-triazacycloheptadecane-2,5,10-trione	non-polymer		441.6	1	BIRD (PRD_002248) Chemie (V69)
3		water	water		18.0	83	Chemie (HOH)

Sequence modifications

A: 1 - 181 (UniProt: Q83883)

PDB	External Database	Details
Met -6	-	initiating methionine
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	1
	Total formula weight	441.6
All*	Total formula weight	20567.7

*Water molecules are not included.