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2a4q
From Proteopedia
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| - | [[Image:2a4q.gif|left|200px]] | ||
| - | + | ==HCV NS3 protease with NS4a peptide and a covalently bound macrocyclic ketoamide compound.== | |
| - | + | <StructureSection load='2a4q' size='340' side='right'caption='[[2a4q]], [[Resolution|resolution]] 2.45Å' scene=''> | |
| - | + | == Structural highlights == | |
| - | | | + | <table><tr><td colspan='2'>[[2a4q]] 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=2A4Q OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2A4Q FirstGlance]. <br> |
| - | + | </td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 2.45Å</td></tr> | |
| - | + | <tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=BME:BETA-MERCAPTOETHANOL'>BME</scene>, <scene name='pdbligand=FNH:(2R)-({N-[(3S)-3-({[(3S,6S)-6-CYCLOHEXYL-5,8-DIOXO-4,7-DIAZABICYCLO[14.3.1]ICOSA-1(20),16,18-TRIEN-3-YL]CARBONYL}AMINO)-2-OXOHEXANOYL]GLYCYL}AMINO)(PHENYL)ACETIC+ACID'>FNH</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene></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=2a4q FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2a4q OCA], [https://pdbe.org/2a4q PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2a4q RCSB], [https://www.ebi.ac.uk/pdbsum/2a4q PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2a4q ProSAT]</span></td></tr> | |
| - | + | </table> | |
| - | + | == Function == | |
| - | + | [https://www.uniprot.org/uniprot/Q91RS4_9HEPC Q91RS4_9HEPC] | |
| - | + | <div style="background-color:#fffaf0;"> | |
| - | + | == Publication Abstract from PubMed == | |
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The 17-membered phenylalanine-based macrocycle 6 was prepared starting from 3-iodo-phenylalanine. Macrocyclization of alkene phenyl iodide 5 was effected through a palladium-catalyzed Heck reaction. The macrocyclic alpha-ketoamides were active inhibitors of the HCV NS3 protease, with the C-terminal acids and amides being more potent than tert-butyl esters. | The 17-membered phenylalanine-based macrocycle 6 was prepared starting from 3-iodo-phenylalanine. Macrocyclization of alkene phenyl iodide 5 was effected through a palladium-catalyzed Heck reaction. The macrocyclic alpha-ketoamides were active inhibitors of the HCV NS3 protease, with the C-terminal acids and amides being more potent than tert-butyl esters. | ||
| - | + | Synthesis and biological activity of macrocyclic inhibitors of hepatitis C virus (HCV) NS3 protease.,Chen KX, Njoroge FG, Prongay A, Pichardo J, Madison V, Girijavallabhan V Bioorg Med Chem Lett. 2005 Oct 15;15(20):4475-8. PMID:16112859<ref>PMID:16112859</ref> | |
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| - | + | From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | |
| - | + | </div> | |
| - | + | <div class="pdbe-citations 2a4q" style="background-color:#fffaf0;"></div> | |
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| - | + | ==See Also== | |
| + | *[[Helicase 3D structures|Helicase 3D structures]] | ||
| + | *[[Virus protease 3D structures|Virus protease 3D structures]] | ||
| + | == References == | ||
| + | <references/> | ||
| + | __TOC__ | ||
| + | </StructureSection> | ||
| + | [[Category: Hepacivirus C]] | ||
| + | [[Category: Large Structures]] | ||
| + | [[Category: Chen KX]] | ||
| + | [[Category: Girijavallabhan V]] | ||
| + | [[Category: Madison V]] | ||
| + | [[Category: Njoroge FG]] | ||
| + | [[Category: Pichardo J]] | ||
| + | [[Category: Prongay A]] | ||
Current revision
HCV NS3 protease with NS4a peptide and a covalently bound macrocyclic ketoamide compound.
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