3FRZ

Crystal Structure of HCV NS5B RNA polymerase in complex with PF868554

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	RNA-directed RNA polymerase	polymer	576	64178.4	1	UniProt (P26663) Pfam (PF00998) In PDB	Hepatitis C virus	NS5B, p68
2	A	(6R)-6-cyclopentyl-6-[2-(2,6-diethylpyridin-4-yl)ethyl]-3-[(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-4-hydroxy-5,6-dihydro-2H-pyran-2-one	non-polymer		503.6	1	Chemie (AG0)
3	A	N-[(benzyloxy)carbonyl]-L-alpha-glutamyl-N-[(1S)-4-oxo-4-phenyl-1-propylbut-2-en-1-yl]-L-phenylalaninamide	non-polymer		613.7	1	Chemie (AG6)
4	A	BETA-MERCAPTOETHANOL	non-polymer		78.1	1	Chemie (BME)
5		water	water		18.0	660	Chemie (HOH)

Sequence modifications

A: 1 - 570 (UniProt: P26663)

PDB	External Database	Details
Gln 47	Leu 2466	engineered mutation
Asp 59	Val 2478	engineered mutation
Tyr 101	Phe 2520	engineered mutation
Arg 114	Lys 2533	engineered mutation
Gln 544	Arg 2963	variant
His 571	-	expression tag
His 572	-	expression tag
His 573	-	expression tag
His 574	-	expression tag
His 575	-	expression tag
His 576	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	64178.4
Non-Polymers*	Number of molecules	3
	Total formula weight	1195.5
All*	Total formula weight	65373.9

*Water molecules are not included.