3QGG

Crystal structure of the hepatitis C virus NS5B RNA-dependent RNA polymerase complex with (2E)-3-(4-{[(1-{[(13-cyclohexyl-6-oxo-6,7-dihydro-5H-indolo[1,2-d][1,4]benzodiazepin-10-yl)carbonyl]amino}cyclopentyl)carbonyl]amino}phenyl)prop-2-enoic acid and N-cyclopropyl-6-[(3R)-3-{[4-(trifluoromethoxy)benzyl]carbamoyl}-4-{[4-(trifluoromethoxy)phenyl]sulfonyl}piperazin-1-yl]pyridazine-3-carboxamide

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	574	63961.5	2	UniProt (Q9WMX2) Pfam (PF00998)	Hepatitis C virus subtype 1b	NS5B, p68
2	C, H (A, B)	(2E)-3-(4-{[(1-{[(13-cyclohexyl-6-oxo-6,7-dihydro-5H-indolo[1,2-d][1,4]benzodiazepin-10-yl)carbonyl]amino}cyclopentyl)carbonyl]amino}phenyl)prop-2-enoic acid	non-polymer		630.7	2	Chemie (23E)
3	D, I (A, B)	N-cyclopropyl-6-[(3R)-3-{[4-(trifluoromethoxy)benzyl]carbamoyl}-4-{[4-(trifluoromethoxy)phenyl]sulfonyl}piperazin-1-yl]pyridazine-3-carboxamide	non-polymer		688.6	2	Chemie (63F)
4	E, F, G, J, K... (A, B)	SULFATE ION	non-polymer		96.1	6	Chemie (SO4)

Sequence modifications

A, B: 1 - 573 (UniProt: Q9WMX2)

PDB	External Database	Details
Met 0	-	initiating methionine

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	127923.0
Non-Polymers*	Number of molecules	10
	Total formula weight	3215.0
All*	Total formula weight	131138.1

*Water molecules are not included.