2gvf

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{{Seed}}
 
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[[Image:2gvf.png|left|200px]]
 
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==HCV NS3-4A protease domain complexed with a macrocyclic ketoamide inhibitor, SCH419021==
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The line below this paragraph, containing "STRUCTURE_2gvf", creates the "Structure Box" on the page.
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<StructureSection load='2gvf' size='340' side='right'caption='[[2gvf]], [[Resolution|resolution]] 2.50&Aring;' scene=''>
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You may change the PDB parameter (which sets the PDB file loaded into the applet)
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== Structural highlights ==
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or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
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<table><tr><td colspan='2'>[[2gvf]] is a 4 chain structure with sequence from [https://en.wikipedia.org/wiki/Hepacivirus_hominis Hepacivirus hominis] and [https://en.wikipedia.org/wiki/Hepatitis_C_virus_(isolate_1) Hepatitis C virus (isolate 1)]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2GVF OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2GVF FirstGlance]. <br>
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or leave the SCENE parameter empty for the default display.
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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]] 2.5&#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=NHN:(6R,8S,11S)-11-cyclohexyl-N-[(1S)-1-{[(2-{[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino}-2-oxoethyl)amino](oxo)acetyl}butyl]-10,13-dioxo-2,5-dioxa-9,12-diazatricyclo[14.3.1.1~6,9~]henicosa-1(20),16,18-triene-8-carboxamide'>NHN</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene></td></tr>
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{{STRUCTURE_2gvf| PDB=2gvf | SCENE= }}
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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=2gvf FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2gvf OCA], [https://pdbe.org/2gvf PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2gvf RCSB], [https://www.ebi.ac.uk/pdbsum/2gvf PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2gvf ProSAT]</span></td></tr>
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</table>
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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/gv/2gvf_consurf.spt"</scriptWhenChecked>
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<scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview03.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=2gvf ConSurf].
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<div style="clear:both"></div>
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<div style="background-color:#fffaf0;">
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== Publication Abstract from PubMed ==
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Synthesis and HCV NS3 serine protease inhibitory activity of 4-hydroxyproline derived macrocyclic inhibitors and SAR around this macrocyclic core is described in this communication. X-ray structure of inhibitor 38 bound to the protease is discussed.
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===HCV NS3-4A protease domain complexed with a macrocyclic ketoamide inhibitor, SCH419021===
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P2-P4 macrocyclic inhibitors of hepatitis C virus NS3-4A serine protease.,Arasappan A, Njoroge FG, Chen KX, Venkatraman S, Parekh TN, Gu H, Pichardo J, Butkiewicz N, Prongay A, Madison V, Girijavallabhan V Bioorg Med Chem Lett. 2006 Aug 1;16(15):3960-5. Epub 2006 May 30. PMID:16730985<ref>PMID:16730985</ref>
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From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
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</div>
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<div class="pdbe-citations 2gvf" style="background-color:#fffaf0;"></div>
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==See Also==
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The line below this paragraph, {{ABSTRACT_PUBMED_16730985}}, adds the Publication Abstract to the page
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*[[Virus protease 3D structures|Virus protease 3D structures]]
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(as it appears on PubMed at http://www.pubmed.gov), where 16730985 is the PubMed ID number.
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== References ==
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<references/>
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{{ABSTRACT_PUBMED_16730985}}
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__TOC__
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</StructureSection>
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==About this Structure==
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[[Category: Hepacivirus hominis]]
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2GVF is a [[Protein complex]] structure of sequences 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=2GVF OCA].
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[[Category: Large Structures]]
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[[Category: Arasappan A]]
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==Reference==
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[[Category: Butkiewicz N]]
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P2-P4 macrocyclic inhibitors of hepatitis C virus NS3-4A serine protease., Arasappan A, Njoroge FG, Chen KX, Venkatraman S, Parekh TN, Gu H, Pichardo J, Butkiewicz N, Prongay A, Madison V, Girijavallabhan V, Bioorg Med Chem Lett. 2006 Aug 1;16(15):3960-5. Epub 2006 May 30. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/16730985 16730985]
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[[Category: Chen KX]]
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[[Category: Girijavallabhan V]]
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Crystal structure of the hepatitis C virus NS3 protease domain complexed with a synthetic NS4A cofactor peptide., Kim JL, Morgenstern KA, Lin C, Fox T, Dwyer MD, Landro JA, Chambers SP, Markland W, Lepre CA, O'Malley ET, Harbeson SL, Rice CM, Murcko MA, Caron PR, Thomson JA, Cell. 1996 Oct 18;87(2):343-55. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/8861917 8861917]
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[[Category: Gu H]]
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[[Category: Madison V]]
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Mutations conferring resistance to SCH6, a novel hepatitis C virus NS3/4A protease inhibitor. Reduced RNA replication fitness and partial rescue by second-site mutations., Yi M, Tong X, Skelton A, Chase R, Chen T, Prongay A, Bogen SL, Saksena AK, Njoroge FG, Veselenak RL, Pyles RB, Bourne N, Malcolm BA, Lemon SM, J Biol Chem. 2006 Mar 24;281(12):8205-15. Epub 2005 Dec 13. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/16352601 16352601]
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[[Category: Njoroge FG]]
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[[Category: Parekh TN]]
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Hepatitis C NS3 protease inhibition by peptidyl-alpha-ketoamide inhibitors: kinetic mechanism and structure., Liu Y, Stoll VS, Richardson PL, Saldivar A, Klaus JL, Molla A, Kohlbrenner W, Kati WM, Arch Biochem Biophys. 2004 Jan 15;421(2):207-16. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/14984200 14984200]
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[[Category: Pichardo J]]
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[[Category: Prongay A]]
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Hepatitis C virus NS3-4A serine protease inhibitors: SAR of P'2 moiety with improved potency., Arasappan A, Njoroge FG, Chan TY, Bennett F, Bogen SL, Chen K, Gu H, Hong L, Jao E, Liu YT, Lovey RG, Parekh T, Pike RE, Pinto P, Santhanam B, Venkatraman S, Vaccaro H, Wang H, Yang X, Zhu Z, Mckittrick B, Saksena AK, Girijavallabhan V, Pichardo J, Butkiewicz N, Ingram R, Malcolm B, Prongay A, Yao N, Marten B, Madison V, Kemp S, Levy O, Lim-Wilby M, Tamura S, Ganguly AK, Bioorg Med Chem Lett. 2005 Oct 1;15(19):4180-4. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/16087332 16087332]
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[[Category: Venkatraman S]]
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[[Category: Hepatitis c virus]]
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[[Category: Protein complex]]
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[[Category: Arasappan, A.]]
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[[Category: Butkiewicz, N.]]
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[[Category: Chen, K X.]]
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[[Category: Girijavallabhan, V.]]
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[[Category: Gu, H.]]
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[[Category: Madison, V.]]
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[[Category: Njoroge, F G.]]
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[[Category: Parekh, T N.]]
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[[Category: Pichardo, J.]]
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[[Category: Prongay, A.]]
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[[Category: Venkatraman, S.]]
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[[Category: Hepatitis c]]
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[[Category: Ketoamide inhibitor]]
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[[Category: Protease]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Jul 28 04:41:18 2008''
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Current revision

HCV NS3-4A protease domain complexed with a macrocyclic ketoamide inhibitor, SCH419021

PDB ID 2gvf

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OCA

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