3CJ4

Crystal structure of hepatitis c virus rna-dependent rna polymerase ns5b in complex with optimized small molecule fragments

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)	RNA-directed RNA polymerase	polymer	576	64176.7	2	UniProt (P26663) Pfam (PF00998)	Hepatitis C virus subtype 1b	NS5B, p68
2	C, E (A, B)	NICKEL (II) ION	non-polymer		58.7	2	Chemie (NI)
3	D, F (A, B)	4-[(4-bromo-2-{[(3R,5S)-3,5-dimethylpiperidin-1-yl]carbonyl}phenyl)amino]-4-oxobutanoic acid	non-polymer		411.3	2	Chemie (SX5)
4	G, H (A, B)	water	water		18.0	478	Chemie (HOH)

Sequence modifications

A, B: 2 - 570 (UniProt: P26663)

PDB	External Database	Details
Met -5	-	expression tag
His -4	-	expression tag
His -3	-	expression tag
His -2	-	expression tag
His -1	-	expression tag
His 0	-	expression tag
His 1	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	128353.3
Non-Polymers*	Number of molecules	4
	Total formula weight	940.0
All*	Total formula weight	129293.3

*Water molecules are not included.