2jle

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[[Image:2jle.png|left|200px]]
 
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==Novel indazole nnrtis created using molecular template hybridization based on crystallographic overlays==
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The line below this paragraph, containing "STRUCTURE_2jle", creates the "Structure Box" on the page.
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<StructureSection load='2jle' size='340' side='right'caption='[[2jle]], [[Resolution|resolution]] 2.90&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'>[[2jle]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Human_immunodeficiency_virus_1 Human immunodeficiency virus 1]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2JLE OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2JLE 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]] 2.9&#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=I15:5-[(5-FLUORO-3-METHYL-1H-INDAZOL-4-YL)OXY]BENZENE-1,3-DICARBONITRILE'>I15</scene></td></tr>
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{{STRUCTURE_2jle| PDB=2jle | 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=2jle FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2jle OCA], [https://pdbe.org/2jle PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2jle RCSB], [https://www.ebi.ac.uk/pdbsum/2jle PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2jle ProSAT]</span></td></tr>
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</table>
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== Function ==
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[https://www.uniprot.org/uniprot/Q72547_9HIV1 Q72547_9HIV1]
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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/jl/2jle_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=2jle 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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A major problem associated with non-nucleoside reverse transcriptase inhibitors (NNRTIs) for the treatment of HIV is their lack of resilience to mutations in the reverse transcriptase (RT) enzyme. Using structural overlays of the known inhibitors efavirenz and capravirine complexed in RT as a starting point, and structure-based drug design techniques, we have created a novel series of indazole NNRTIs that possess excellent metabolic stability and mutant resilience.
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===NOVEL INDAZOLE NNRTIS CREATED USING MOLECULAR TEMPLATE HYBRIDIZATION BASED ON CRYSTALLOGRAPHIC OVERLAYS===
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Novel indazole non-nucleoside reverse transcriptase inhibitors using molecular hybridization based on crystallographic overlays.,Jones LH, Allan G, Barba O, Burt C, Corbau R, Dupont T, Knochel T, Irving S, Middleton DS, Mowbray CE, Perros M, Ringrose H, Swain NA, Webster R, Westby M, Phillips C J Med Chem. 2009 Feb 26;52(4):1219-23. PMID:19175319<ref>PMID:19175319</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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The line below this paragraph, {{ABSTRACT_PUBMED_19175319}}, adds the Publication Abstract to the page
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<div class="pdbe-citations 2jle" style="background-color:#fffaf0;"></div>
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(as it appears on PubMed at http://www.pubmed.gov), where 19175319 is the PubMed ID number.
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-->
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{{ABSTRACT_PUBMED_19175319}}
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==About this Structure==
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[[2jle]] is a 2 chain structure of [[Reverse transcriptase]] with sequence from [http://en.wikipedia.org/wiki/Human_immunodeficiency_virus_1 Human immunodeficiency virus 1]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2JLE OCA].
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==See Also==
==See Also==
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*[[Reverse transcriptase]]
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*[[Reverse transcriptase 3D structures|Reverse transcriptase 3D structures]]
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== References ==
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==Reference==
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<references/>
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<ref group="xtra">PMID:19175319</ref><references group="xtra"/>
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__TOC__
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</StructureSection>
[[Category: Human immunodeficiency virus 1]]
[[Category: Human immunodeficiency virus 1]]
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[[Category: Allan, G.]]
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[[Category: Large Structures]]
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[[Category: Barba, O.]]
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[[Category: Allan G]]
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[[Category: Burt, C.]]
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[[Category: Barba O]]
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[[Category: Corbau, R.]]
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[[Category: Burt C]]
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[[Category: Dupont, T.]]
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[[Category: Corbau R]]
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[[Category: Irving, S.]]
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[[Category: Dupont T]]
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[[Category: Jones, L H.]]
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[[Category: Irving S]]
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[[Category: Mowbray, C E.]]
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[[Category: Jones LH]]
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[[Category: Phillips, C.]]
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[[Category: Mowbray CE]]
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[[Category: Swain, N A.]]
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[[Category: Phillips C]]
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[[Category: Webster, R.]]
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[[Category: Swain NA]]
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[[Category: Westby, M.]]
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[[Category: Webster R]]
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[[Category: Aid]]
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[[Category: Westby M]]
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[[Category: Aspartyl protease]]
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[[Category: Capsid maturation]]
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[[Category: Capsid protein]]
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[[Category: Cytoplasm]]
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[[Category: Dna integration]]
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[[Category: Dna recombination]]
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[[Category: Dna-directed dna polymerase]]
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[[Category: Endonuclease]]
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[[Category: Hiv-1]]
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[[Category: Hydrolase]]
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[[Category: Lipoprotein]]
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[[Category: Magnesium]]
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[[Category: Metal-binding]]
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[[Category: Multifunctional enzyme]]
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[[Category: Myristate]]
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[[Category: Nnrti]]
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[[Category: Nuclease]]
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[[Category: Nucleotidyltransferase]]
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[[Category: Nucleus]]
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[[Category: Phosphoprotein]]
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[[Category: Protease]]
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[[Category: Ribosomal frameshifting]]
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[[Category: Rna-binding]]
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[[Category: Rna-directed dna polymerase]]
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[[Category: Transferase]]
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[[Category: Viral nucleoprotein]]
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[[Category: Virion]]
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[[Category: Zinc]]
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[[Category: Zinc-finger]]
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Current revision

Novel indazole nnrtis created using molecular template hybridization based on crystallographic overlays

PDB ID 2jle

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