3VQS

Crystal structure of HCV NS5B RNA polymerase with a novel piperazine 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, C, D	RNA-directed RNA polymerase	polymer	578	64247.6	4	UniProt (D0PY27) Pfam (PF00998) UniProt (by SIFTS) (P26663) In PDB	Hepatitis C virus	NS5B polymerase
2	A, B, C, D	(2R)-4-(5-cyclopropyl[1,3]thiazolo[4,5-d]pyrimidin-2-yl)-N-[3-fluoro-4-(trifluoromethoxy)benzyl]-1-{[4-(trifluoromethyl)phenyl]sulfonyl}piperazine-2-carboxamide	non-polymer		704.6	4	Chemie (JT1)
3	B, C	CHLORIDE ION	non-polymer		35.5	2	Chemie (CL)
4		water	water		18.0	1465	Chemie (HOH)

Sequence modifications

A, B, C, D: 1 - 570 (UniProt: D0PY27)

PDB	External Database	Details
Gly 571	-	EXPRESSION TAG
Ser 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	4
	Total formula weight	256990.4
Non-Polymers*	Number of molecules	6
	Total formula weight	2889.5
All*	Total formula weight	259879.9

*Water molecules are not included.