3D5M

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	N-({3-[(5S)-5-tert-butyl-1-(3-chloro-4-fluorobenzyl)-4-hydroxy-2-oxo-2,5-dihydro-1H-pyrrol-3-yl]-1,1-dioxido-1,2-benzis othiazol-7-yl}methyl)methanesulfonamide	non-polymer		570.1	2	Chemie (4MS)
3		water	water		18.0	319	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	1140.1
All*	Total formula weight	129831.6

*Water molecules are not included.