5DG6

2.35A resolution structure of Norovirus 3CL protease in complex an oxadiazole-based, cell permeable macrocyclic (21-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, B	3C-LIKE PROTEASE	polymer	188	20126.1	2	UniProt (Q83883) In PDB	Norwalk virus (Hu/NV/NV/1968/US)
2	A, B	CHLORIDE ION	non-polymer		35.5	3	Chemie (CL)
3	A	tert-butyl [(4S,7S,10S)-7-(cyclohexylmethyl)-10-(hydroxymethyl)-5,8,13-trioxo-23-oxa-6,9,14,21,22-pentaazabicyclo[18.2.1]tricosa-1(22),20-dien-4-yl]carbamate	non-polymer		606.8	1	BIRD (PRD_002187) Chemie (V66)
4		water	water		18.0	55	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	4
	Total formula weight	713.1
All*	Total formula weight	40965.4

*Water molecules are not included.