3BSC

Crystal Structure of HCV NS5B Polymerase with a Novel Pyridazinone 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	RNA-directed RNA polymerase	polymer	578	64345.7	2	UniProt (P26663) Pfam (PF00998) In PDB	Hepatitis C virus (isolate BK)	NS5B, p68
2	A, B	5-hydroxy-4-(7-methoxy-1,1-dioxido-2H-1,2,4-benzothiadiazin-3-yl)-2-(3-methylbutyl)-6-phenylpyridazin-3(2H)-one	non-polymer		468.5	2	Chemie (2PD)
3		water	water		18.0	243	Chemie (HOH)

Sequence modifications

A, B: 1 - 570 (UniProt: P26663)

PDB	External Database	Details
Gln 544	Arg 2963	engineered mutation
Leu 571	-	expression tag
Glu 572	-	expression tag
His 573	-	expression tag
His 574	-	expression tag
His 575	-	expression tag
His 576	-	expression tag
His 577	-	expression tag
His 578	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	128691.5
Non-Polymers*	Number of molecules	2
	Total formula weight	937.0
All*	Total formula weight	129628.5

*Water molecules are not included.