4KBI

HCV NS5B GT1B N316Y with CMPD 4

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	HCV Polymerase	polymer	580	64685.1	2	UniProt (P26663) Pfam (PF00998) In PDB	Hepatitis C virus (HCV)	RNA-directed RNA polymerase, NS5B, p68
2	A, B	5-cyclopropyl-6-{[(7-fluoro-1-hydroxy-1,3-dihydro-2,1-benzoxaborol-5-yl)methyl](methylsulfonyl)amino}-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide	non-polymer		566.4	2	Chemie (1C0)
3		water	water		18.0	825	Chemie (HOH)

Sequence modifications

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

PDB	External Database	Details
Met -1	-	expression tag
Ala 0	-	expression tag
Gln 47	Leu 2466	engineered mutation
Tyr 101	Phe 2520	engineered mutation
Arg 114	Lys 2533	engineered mutation
Tyr 316	Asn 2735	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	129370.3
Non-Polymers*	Number of molecules	2
	Total formula weight	1132.8
All*	Total formula weight	130503.1

*Water molecules are not included.