2hai

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[[Image:2hai.jpg|left|200px]]
[[Image:2hai.jpg|left|200px]]
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{{Structure
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<!--
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|PDB= 2hai |SIZE=350|CAPTION= <scene name='initialview01'>2hai</scene>, resolution 1.58&Aring;
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The line below this paragraph, containing "STRUCTURE_2hai", creates the "Structure Box" on the page.
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|SITE=
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You may change the PDB parameter (which sets the PDB file loaded into the applet)
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|LIGAND= <scene name='pdbligand=CME:S,S-(2-HYDROXYETHYL)THIOCYSTEINE'>CME</scene>, <scene name='pdbligand=CSD:3-SULFINOALANINE'>CSD</scene>, <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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or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
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|ACTIVITY= <span class='plainlinks'>[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] </span>
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or leave the SCENE parameter empty for the default display.
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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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|DOMAIN=
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{{STRUCTURE_2hai| PDB=2hai | SCENE= }}
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|RELATEDENTRY=[[1os5|1OS5]]
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|RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2hai FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2hai OCA], [http://www.ebi.ac.uk/pdbsum/2hai PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=2hai RCSB]</span>
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}}
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'''Crystal structure of HCV NS5B RNA polymerase in complex with novel class of dihydropyrone-containing inhibitor.'''
'''Crystal structure of HCV NS5B RNA polymerase in complex with novel class of dihydropyrone-containing inhibitor.'''
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[[Category: Li, H.]]
[[Category: Li, H.]]
[[Category: Love, R L.]]
[[Category: Love, R L.]]
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[[Category: hcv rna polymerase]]
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[[Category: Hcv rna polymerase]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun May 4 06:03:25 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Mar 31 03:27:43 2008''
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Revision as of 03:03, 4 May 2008

Image:2hai.jpg

Template:STRUCTURE 2hai

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 Page seeded by OCA on Sun May 4 06:03:25 2008

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OCA

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