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2f9u

From Proteopedia

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[[Image:2f9u.gif|left|200px]]<br /><applet load="2f9u" size="350" color="white" frame="true" align="right" spinBox="true"
 
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caption="2f9u, resolution 2.60&Aring;" />
 
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'''HCV NS3 protease domain with NS4a peptide and a ketoamide inhibitor with a P2 norborane'''<br />
 
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==Overview==
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==HCV NS3 protease domain with NS4a peptide and a ketoamide inhibitor with a P2 norborane==
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Prolonged hepatitis C infection is the leading cause for cirrhosis of the liver and hepatocellular carcinoma. The etiological agent HCV virus codes a single polyprotein of approximately 3000 amino acids that is processed with the help of a serine protease NS3A to produce structural and non-structural proteins required for viral replication. Inhibition of NS3 protease can potentially be used to develop drugs for treatment of HCV infections. Herein, we report the development of a series of novel NS3 serine protease inhibitors derived from 2-aza-bicyclo[2.2.1]-heptane carboxylic acid with potential therapeutic use for treatment of HCV infections.
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<StructureSection load='2f9u' size='340' side='right'caption='[[2f9u]], [[Resolution|resolution]] 2.60&Aring;' scene=''>
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== Structural highlights ==
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<table><tr><td colspan='2'>[[2f9u]] is a 4 chain structure with sequence from [https://en.wikipedia.org/wiki/Hepacivirus_C Hepacivirus C]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2F9U OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2F9U FirstGlance]. <br>
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</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 2.6&#8491;</td></tr>
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<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=5NH:1,1-DIMETHYLETHYL+[1-CYCLOHEXYL-2-[3-[[[1-[2-[[2-[[2-(DIMETHYLAMINO)-2-OXO-1-PHENYLETHYL]AMINO]-2-OXOETHYL]AMINO]-1,2-DIOXOETHYL]PENTYL]AMINO]CARBONYL]-2-AZABICYCLO[2.2.1]HEPTAN-2-YL]-2-OXOETHYL]CARBAMATE'>5NH</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene></td></tr>
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<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=2f9u FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2f9u OCA], [https://pdbe.org/2f9u PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2f9u RCSB], [https://www.ebi.ac.uk/pdbsum/2f9u PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2f9u ProSAT]</span></td></tr>
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</table>
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== Function ==
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[https://www.uniprot.org/uniprot/Q91RS4_9HEPC Q91RS4_9HEPC]
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== Evolutionary Conservation ==
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[[Image:Consurf_key_small.gif|200px|right]]
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Check<jmol>
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<jmolCheckbox>
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<scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/f9/2f9u_consurf.spt"</scriptWhenChecked>
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<scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.spt</scriptWhenUnchecked>
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<text>to colour the structure by Evolutionary Conservation</text>
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</jmolCheckbox>
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</jmol>, as determined by [http://consurfdb.tau.ac.il/ ConSurfDB]. You may read the [[Conservation%2C_Evolutionary|explanation]] of the method and the full data available from [http://bental.tau.ac.il/new_ConSurfDB/main_output.php?pdb_ID=2f9u ConSurf].
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<div style="clear:both"></div>
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==About this Structure==
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==See Also==
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2F9U is a [http://en.wikipedia.org/wiki/Protein_complex Protein complex] structure of sequences from [http://en.wikipedia.org/wiki/Hepatitis_c_virus Hepatitis c virus] with <scene name='pdbligand=ZN:'>ZN</scene> and <scene name='pdbligand=5NH:'>5NH</scene> as [http://en.wikipedia.org/wiki/ligands ligands]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2F9U OCA].
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*[[Helicase 3D structures|Helicase 3D structures]]
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*[[Virus protease 3D structures|Virus protease 3D structures]]
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==Reference==
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__TOC__
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Novel inhibitors of hepatitis C NS3-NS4A serine protease derived from 2-aza-bicyclo[2.2.1]heptane-3-carboxylic acid., Venkatraman S, Njoroge FG, Wu W, Girijavallabhan V, Prongay AJ, Butkiewicz N, Pichardo J, Bioorg Med Chem Lett. 2006 Mar 15;16(6):1628-32. Epub 2006 Jan 18. PMID:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=16413182 16413182]
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</StructureSection>
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[[Category: Hepatitis c virus]]
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[[Category: Hepacivirus C]]
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[[Category: Protein complex]]
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[[Category: Large Structures]]
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[[Category: Butkiewicz, N.]]
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[[Category: Butkiewicz N]]
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[[Category: Girijavallabhan, V.]]
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[[Category: Girijavallabhan V]]
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[[Category: Njoroge, F G.]]
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[[Category: Njoroge FG]]
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[[Category: Pichardo, J.]]
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[[Category: Pichardo J]]
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[[Category: Prongay, A J.]]
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[[Category: Prongay AJ]]
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[[Category: Venkatraman, S.]]
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[[Category: Venkatraman S]]
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[[Category: Wu, W.]]
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[[Category: Wu W]]
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[[Category: 5NH]]
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[[Category: ZN]]
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[[Category: hcv]]
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[[Category: hepatitis c protease]]
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[[Category: ketoamide inhibitor]]
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[[Category: ns3 protease]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Feb 21 17:19:12 2008''
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Current revision

HCV NS3 protease domain with NS4a peptide and a ketoamide inhibitor with a P2 norborane

PDB ID 2f9u

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