2hai

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[[Image:2hai.jpg|left|200px]]<br /><applet load="2hai" size="350" color="white" frame="true" align="right" spinBox="true"
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[[Image:2hai.jpg|left|200px]]
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caption="2hai, resolution 1.58&Aring;" />
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'''Crystal structure of HCV NS5B RNA polymerase in complex with novel class of dihydropyrone-containing inhibitor.'''<br />
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{{Structure
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|PDB= 2hai |SIZE=350|CAPTION= <scene name='initialview01'>2hai</scene>, resolution 1.58&Aring;
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|SITE=
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|LIGAND= <scene name='pdbligand=PFI:(6S)-6-CYCLOPENTYL-6-[2-(3-FLUORO-4-ISOPROPOXYPHENYL)ETHYL]-4-HYDROXY-5,6-DIHYDRO-2H-PYRAN-2-ONE'>PFI</scene>
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|ACTIVITY= [http://en.wikipedia.org/wiki/RNA-directed_RNA_polymerase RNA-directed RNA polymerase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.7.48 2.7.7.48]
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|GENE= NS5B ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=11103 Hepatitis C virus])
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}}
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'''Crystal structure of HCV NS5B RNA polymerase in complex with novel class of dihydropyrone-containing inhibitor.'''
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==Overview==
==Overview==
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==About this Structure==
==About this Structure==
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2HAI is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Hepatitis_c_virus Hepatitis c virus] with <scene name='pdbligand=PFI:'>PFI</scene> as [http://en.wikipedia.org/wiki/ligand ligand]. Active as [http://en.wikipedia.org/wiki/RNA-directed_RNA_polymerase RNA-directed RNA polymerase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.7.48 2.7.7.48] Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2HAI OCA].
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2HAI is a [[Single protein]] structure of sequence from [http://en.wikipedia.org/wiki/Hepatitis_c_virus Hepatitis c virus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2HAI OCA].
==Reference==
==Reference==
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Identification and structure-based optimization of novel dihydropyrones as potent HCV RNA polymerase inhibitors., Li H, Tatlock J, Linton A, Gonzalez J, Borchardt A, Dragovich P, Jewell T, Prins T, Zhou R, Blazel J, Parge H, Love R, Hickey M, Doan C, Shi S, Duggal R, Lewis C, Fuhrman S, Bioorg Med Chem Lett. 2006 Sep 15;16(18):4834-8. Epub 2006 Jul 7. PMID:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=16824756 16824756]
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Identification and structure-based optimization of novel dihydropyrones as potent HCV RNA polymerase inhibitors., Li H, Tatlock J, Linton A, Gonzalez J, Borchardt A, Dragovich P, Jewell T, Prins T, Zhou R, Blazel J, Parge H, Love R, Hickey M, Doan C, Shi S, Duggal R, Lewis C, Fuhrman S, Bioorg Med Chem Lett. 2006 Sep 15;16(18):4834-8. Epub 2006 Jul 7. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/16824756 16824756]
[[Category: Hepatitis c virus]]
[[Category: Hepatitis c virus]]
[[Category: RNA-directed RNA polymerase]]
[[Category: RNA-directed RNA polymerase]]
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[[Category: hcv rna polymerase]]
[[Category: hcv rna polymerase]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Feb 21 17:39:51 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Mar 20 17:14:39 2008''

Revision as of 15:14, 20 March 2008

Image:2hai.jpg


PDB ID 2hai

Drag the structure with the mouse to rotate
, resolution 1.58Å
Ligands:
Gene: NS5B (Hepatitis C virus)
Activity: RNA-directed RNA polymerase, with EC number 2.7.7.48
Coordinates: save as pdb, mmCIF, xml



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


Overview

A novel class of non-nucleoside HCV NS5B polymerase inhibitors has been identified from screening. A co-crystal structure revealed an allosteric binding site in the protein that required a unique conformational change to accommodate inhibitor binding. Herein we report the structure-activity relationships (SARs) of this novel class of dihydropyrone-containing compounds that show potent inhibitory activities against the HCV RNA polymerase in biochemical assays.

About this Structure

2HAI is a Single protein structure of sequence from Hepatitis c virus. Full crystallographic information is available from OCA.

Reference

Identification and structure-based optimization of novel dihydropyrones as potent HCV RNA polymerase inhibitors., Li H, Tatlock J, Linton A, Gonzalez J, Borchardt A, Dragovich P, Jewell T, Prins T, Zhou R, Blazel J, Parge H, Love R, Hickey M, Doan C, Shi S, Duggal R, Lewis C, Fuhrman S, Bioorg Med Chem Lett. 2006 Sep 15;16(18):4834-8. Epub 2006 Jul 7. PMID:16824756

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