4KHM

HCV NS5B GT1A with GSK5852

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)	HCV Polymerase	polymer	579	64035.3	2	UniProt (B1PPP0) Pfam (PF00998)	Hepatitis C virus subtype 1a (HCV)	RNA-directed RNA polymerase, NS5B, p68
2	C, F (A, B)	[4-({[5-cyclopropyl-2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-6-yl](methylsulfonyl)amino}methyl)-2-fluorophenyl]boronic acid	non-polymer		554.4	2	Chemie (1PV)
3	D, E, G, H, I... (A, B)	SULFATE ION	non-polymer		96.1	7	Chemie (SO4)
4	L, M (A, B)	water	water		18.0	922	Chemie (HOH)

Sequence modifications

A, B: 1 - 570 (UniProt: B1PPP0)

PDB	External Database	Details
Met 0	-	expression tag
Ser 5	Thr 2425	variant
Val 11	Ile 2431	variant
Tyr 101	Phe 2521	engineered mutation
Ser 110	Cys 2530	engineered mutation
Ser 113	Arg 2533	engineered mutation
Arg 114	Lys 2534	engineered mutation
Ala 546	Asp 2966	variant
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	128070.7
Non-Polymers*	Number of molecules	9
	Total formula weight	1781.2
All*	Total formula weight	129851.9

*Water molecules are not included.