3GNW

HCV NS5B polymerase in complex with 1,5 benzodiazepine inhibitor 4c

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	581	64817.3	2	UniProt (O92972) Pfam (PF00998)	Hepatitis C virus isolate (HCV)	HCV NS5B RNA POLYMERASE, NS5B, p68
2	C, F (A, B)	(11S)-11-[4-(benzyloxy)-2-fluorophenyl]-3,3-dimethyl-10-[(6-methylpyridin-2-yl)carbonyl]-2,3,4,5,10,11-hexahydrothiopyrano[3,2-b][1,5]benzodiazepin-6-ol 1,1-dioxide	non-polymer		613.7	2	Chemie (XNC)
3	D, E, G (A, B)	CHLORIDE ION	non-polymer		35.5	3	Chemie (CL)
4	H, I (A, B)	water	water		18.0	498	Chemie (HOH)

Sequence modifications

A, B: 1 - 570 (UniProt: O92972)

PDB	External Database	Details
Met -2	-	expression tag
Ala -1	-	expression tag
Ser 0	-	expression tag
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	129634.5
Non-Polymers*	Number of molecules	5
	Total formula weight	1333.8
All*	Total formula weight	130968.3

*Water molecules are not included.