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2gvf
From Proteopedia
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| - | [[Image:2gvf.png|left|200px]] | ||
| - | < | + | ==HCV NS3-4A protease domain complexed with a macrocyclic ketoamide inhibitor, SCH419021== |
| - | + | <StructureSection load='2gvf' size='340' side='right'caption='[[2gvf]], [[Resolution|resolution]] 2.50Å' scene=''> | |
| - | + | == Structural highlights == | |
| - | + | <table><tr><td colspan='2'>[[2gvf]] is a 4 chain structure with sequence from [https://en.wikipedia.org/wiki/9hepc 9hepc]. 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> | |
| - | + | </td></tr><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-(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> | |
| - | - | + | <tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat"><div style='overflow: auto; max-height: 3em;'>[[1a1r|1a1r]], [[2fm2|2fm2]], [[1rgq|1rgq]], [[2a4g|2a4g]], [[2a4r|2a4r]], [[2a4q|2a4q]]</div></td></tr> |
| - | + | <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> | |
| + | </table> | ||
| + | == Evolutionary Conservation == | ||
| + | [[Image:Consurf_key_small.gif|200px|right]] | ||
| + | Check<jmol> | ||
| + | <jmolCheckbox> | ||
| + | <scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/gv/2gvf_consurf.spt"</scriptWhenChecked> | ||
| + | <scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.spt</scriptWhenUnchecked> | ||
| + | <text>to colour the structure by Evolutionary Conservation</text> | ||
| + | </jmolCheckbox> | ||
| + | </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]. | ||
| + | <div style="clear:both"></div> | ||
| + | <div style="background-color:#fffaf0;"> | ||
| + | == Publication Abstract from PubMed == | ||
| + | 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. | ||
| - | + | 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> | |
| + | From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | ||
| + | </div> | ||
| + | <div class="pdbe-citations 2gvf" style="background-color:#fffaf0;"></div> | ||
| - | + | ==See Also== | |
| - | + | *[[Virus protease 3D structures|Virus protease 3D structures]] | |
| - | + | == References == | |
| - | + | <references/> | |
| - | + | __TOC__ | |
| - | + | </StructureSection> | |
| - | == | + | [[Category: Large Structures]] |
| - | [[ | + | [[Category: Arasappan, A]] |
| - | + | [[Category: Butkiewicz, N]] | |
| - | == | + | [[Category: Chen, K X]] |
| - | < | + | [[Category: Girijavallabhan, V]] |
| - | [[Category: | + | [[Category: Gu, H]] |
| - | [[Category: Arasappan, A | + | [[Category: Madison, V]] |
| - | [[Category: Butkiewicz, N | + | [[Category: Njoroge, F G]] |
| - | [[Category: Chen, K X | + | [[Category: Parekh, T N]] |
| - | [[Category: Girijavallabhan, V | + | [[Category: Pichardo, J]] |
| - | [[Category: Gu, H | + | [[Category: Prongay, A]] |
| - | [[Category: Madison, V | + | [[Category: Venkatraman, S]] |
| - | [[Category: Njoroge, F G | + | |
| - | [[Category: Parekh, T N | + | |
| - | [[Category: Pichardo, J | + | |
| - | [[Category: Prongay, A | + | |
| - | [[Category: Venkatraman, S | + | |
[[Category: Hepatitis c]] | [[Category: Hepatitis c]] | ||
[[Category: Hydrolase]] | [[Category: Hydrolase]] | ||
[[Category: Ketoamide inhibitor]] | [[Category: Ketoamide inhibitor]] | ||
[[Category: Protease]] | [[Category: Protease]] | ||
Current revision
HCV NS3-4A protease domain complexed with a macrocyclic ketoamide inhibitor, SCH419021
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