2gc8

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[[Image:2gc8.gif|left|200px]]<br /><applet load="2gc8" size="350" color="white" frame="true" align="right" spinBox="true"
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[[Image:2gc8.gif|left|200px]]
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caption="2gc8, resolution 2.20&Aring;" />
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'''Structure of a Proline Sulfonamide Inhibitor Bound to HCV NS5b Polymerase'''<br />
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{{Structure
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|PDB= 2gc8 |SIZE=350|CAPTION= <scene name='initialview01'>2gc8</scene>, resolution 2.20&Aring;
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|SITE=
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|LIGAND= <scene name='pdbligand=885:1-[(2-AMINO-4-CHLORO-5-METHYLPHENYL)SULFONYL]-L-PROLINE'>885</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=
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}}
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'''Structure of a Proline Sulfonamide Inhibitor Bound to HCV NS5b Polymerase'''
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==Overview==
==Overview==
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==About this Structure==
==About this Structure==
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2GC8 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=885:'>885</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=2GC8 OCA].
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2GC8 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=2GC8 OCA].
==Reference==
==Reference==
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Discovery of proline sulfonamides as potent and selective hepatitis C virus NS5b polymerase inhibitors. Evidence for a new NS5b polymerase binding site., Gopalsamy A, Chopra R, Lim K, Ciszewski G, Shi M, Curran KJ, Sukits SF, Svenson K, Bard J, Ellingboe JW, Agarwal A, Krishnamurthy G, Howe AY, Orlowski M, Feld B, O'Connell J, Mansour TS, J Med Chem. 2006 Jun 1;49(11):3052-5. PMID:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=16722622 16722622]
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Discovery of proline sulfonamides as potent and selective hepatitis C virus NS5b polymerase inhibitors. Evidence for a new NS5b polymerase binding site., Gopalsamy A, Chopra R, Lim K, Ciszewski G, Shi M, Curran KJ, Sukits SF, Svenson K, Bard J, Ellingboe JW, Agarwal A, Krishnamurthy G, Howe AY, Orlowski M, Feld B, O'Connell J, Mansour TS, J Med Chem. 2006 Jun 1;49(11):3052-5. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/16722622 16722622]
[[Category: Hepatitis c virus]]
[[Category: Hepatitis c virus]]
[[Category: RNA-directed RNA polymerase]]
[[Category: RNA-directed RNA polymerase]]
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[[Category: transferase]]
[[Category: transferase]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Feb 21 17:30:16 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Mar 20 17:02:57 2008''

Revision as of 15:02, 20 March 2008

Image:2gc8.gif


PDB ID 2gc8

Drag the structure with the mouse to rotate
, resolution 2.20Å
Ligands:
Activity: RNA-directed RNA polymerase, with EC number 2.7.7.48
Coordinates: save as pdb, mmCIF, xml



Structure of a Proline Sulfonamide Inhibitor Bound to HCV NS5b Polymerase


Overview

Through high throughput screening, substituted proline sulfonamide 6 was identified as HCV NS5b RNA-dependent RNA polymerase inhibitor. Optimization of various regions of the lead molecule resulted in compounds that displayed good potency and selectivity. The crystal structure of 6 and NS5b polymerase complex confirmed the binding near the active site region. The optimization approach and SAR are discussed in detail.

About this Structure

2GC8 is a Single protein structure of sequence from Hepatitis c virus. Full crystallographic information is available from OCA.

Reference

Discovery of proline sulfonamides as potent and selective hepatitis C virus NS5b polymerase inhibitors. Evidence for a new NS5b polymerase binding site., Gopalsamy A, Chopra R, Lim K, Ciszewski G, Shi M, Curran KJ, Sukits SF, Svenson K, Bard J, Ellingboe JW, Agarwal A, Krishnamurthy G, Howe AY, Orlowski M, Feld B, O'Connell J, Mansour TS, J Med Chem. 2006 Jun 1;49(11):3052-5. PMID:16722622

Page seeded by OCA on Thu Mar 20 17:02:57 2008

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