3GOL

HCV NS5b polymerase in complex with 1,5 benzodiazepine inhibitor (R)-11d

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)	Hepatitis C virus isolate (HCV)	HCV NS5B RNA POLYMERASE, NS5B, p68
2	C, E (A, B)	(11R)-10-acetyl-11-(2,4-dichlorophenyl)-6-hydroxy-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one	non-polymer		445.3	2	Chemie (XND)
3	D, F (A, B)	MAGNESIUM ION	non-polymer		24.3	2	Chemie (MG)
4	G, H (A, B)	water	water		18.0	112	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	4
	Total formula weight	939.3
All*	Total formula weight	130573.8

*Water molecules are not included.