2a4q: Difference between revisions

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-[[Image:2a4q.png|left|200px]]
-<!--
+==HCV NS3 protease with NS4a peptide and a covalently bound macrocyclic ketoamide compound.==
-The line below this paragraph, containing "STRUCTURE_2a4q", creates the "Structure Box" on the page.
+<StructureSection load='2a4q' size='340' side='right'caption='[[2a4q]], [[Resolution|resolution]] 2.45&Aring;' scene=''>
-You may change the PDB parameter (which sets the PDB file loaded into the applet)
+== Structural highlights ==
-or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
+<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>
-or leave the SCENE parameter empty for the default display.
+</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 2.45&#8491;</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>
-{{STRUCTURE_2a4q|  PDB=2a4q  |  SCENE=  }}
+<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 ==
+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.
-===HCV NS3 protease with NS4a peptide and a covalently bound macrocyclic ketoamide compound.===
+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>
+From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
+</div>
+<div class="pdbe-citations 2a4q" style="background-color:#fffaf0;"></div>
-<!--
+==See Also==
-The line below this paragraph, {{ABSTRACT_PUBMED_16112859}}, adds the Publication Abstract to the page
+*[[Helicase 3D structures|Helicase 3D structures]]
-(as it appears on PubMed at http://www.pubmed.gov), where 16112859 is the PubMed ID number.
+*[[Virus protease 3D structures|Virus protease 3D structures]]
--->
+== References ==
-{{ABSTRACT_PUBMED_16112859}}
+<references/>
+__TOC__
-==About this Structure==
+</StructureSection>
-[[2a4q]] is a 4 chain structure with 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=2A4Q OCA].
+[[Category: Hepacivirus C]]
+[[Category: Large Structures]]
-==Reference==
+[[Category: Chen KX]]
-<ref group="xtra">PMID:16112859</ref><ref group="xtra">PMID:8861917</ref><ref group="xtra">PMID:16087332</ref><ref group="xtra">PMID:8861916</ref><ref group="xtra">PMID:9568891</ref><ref group="xtra">PMID:10702283</ref><references group="xtra"/>
+[[Category: Girijavallabhan V]]
-[[Category: Hepatitis c virus]]
+[[Category: Madison V]]
-[[Category: Chen, K X.]]
+[[Category: Njoroge FG]]
-[[Category: Girijavallabhan, V.]]
+[[Category: Pichardo J]]
-[[Category: Madison, V.]]
+[[Category: Prongay A]]
-[[Category: Njoroge, F G.]]
-[[Category: Pichardo, J.]]
-[[Category: Prongay, A.]]
-[[Category: Viral protein]]