2HAI

Crystal structure of HCV NS5B RNA polymerase in complex with novel class of dihydropyrone-containing inhibitor.

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	HEPATITIS C VIRUS NS5B RNA POLYMERASE	polymer	576	64270.6	1	UniProt (P26663) Pfam (PF00998) UniProt (by SIFTS) (Q99AU2) In PDB	Hepatitis C virus
2	A	(6S)-6-CYCLOPENTYL-6-[2-(3-FLUORO-4-ISOPROPOXYPHENYL)ETHYL]-4-HYDROXY-5,6-DIHYDRO-2H-PYRAN-2-ONE	non-polymer		362.4	1	Chemie (PFI)
3		water	water		18.0	596	Chemie (HOH)

Sequence modifications

A: 1 - 570 (UniProt: P26663)

PDB	External Database	Details
Gln 47	Leu 2465	engineered mutation
Tyr 101	Phe 2519	engineered mutation
Arg 114	Lys 2532	engineered mutation
Csd 223	Cys 2641	modified residue
Cme 366	Cys 2784	modified residue
Gln 544	Arg 2962	conflict
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	64270.6
Non-Polymers*	Number of molecules	1
	Total formula weight	362.4
All*	Total formula weight	64633.0

*Water molecules are not included.