1zw1

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{{Seed}}
 
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[[Image:1zw1.png|left|200px]]
 
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==Synthesis, Biological Activity, and X-Ray Crystal Structural Analysis of Diaryl Ether Inhibitors of Malarial Enoyl ACP Reductase. Part 1:4'-Substituted Triclosan Derivatives==
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The line below this paragraph, containing "STRUCTURE_1zw1", creates the "Structure Box" on the page.
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<StructureSection load='1zw1' size='340' side='right'caption='[[1zw1]], [[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'>[[1zw1]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Plasmodium_falciparum Plasmodium falciparum]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1ZW1 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1ZW1 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=NAD:NICOTINAMIDE-ADENINE-DINUCLEOTIDE'>NAD</scene>, <scene name='pdbligand=TN5:2-(4-AMINO-2-CHLOROPHENOXY)-5-CHLOROPHENOL'>TN5</scene></td></tr>
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{{STRUCTURE_1zw1| PDB=1zw1 | 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=1zw1 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1zw1 OCA], [https://pdbe.org/1zw1 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1zw1 RCSB], [https://www.ebi.ac.uk/pdbsum/1zw1 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1zw1 ProSAT]</span></td></tr>
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</table>
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== Function ==
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[https://www.uniprot.org/uniprot/Q9BH77_PLAFA Q9BH77_PLAFA]
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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/zw/1zw1_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=1zw1 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 structure-based approach has been taken to develop 4'-substituted analogs of triclosan that target the key malarial enzyme Plasmodium falciparum enoyl acyl carrier protein reductase (PfENR). Many of these compounds exhibit nanomolar potency against purified PfENR enzyme and modest (2-10microM) potency against in vitro cultures of drug-resistant and drug-sensitive strains of the P. falciparum parasite. X-ray crystal structures of nitro 29, aniline 30, methylamide 37, and urea 46 demonstrate the presence of hydrogen-bonding interactions with residues in the active site and point to future rounds of optimization to improve compound potency against purified enzyme and intracellular parasites.
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===Synthesis, Biological Activity, and X-Ray Crystal Structural Analysis of Diaryl Ether Inhibitors of Malarial Enoyl ACP Reductase. Part 1:4'-Substituted Triclosan Derivatives===
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Synthesis, biological activity, and X-ray crystal structural analysis of diaryl ether inhibitors of malarial enoyl acyl carrier protein reductase. Part 1: 4'-substituted triclosan derivatives.,Freundlich JS, Anderson JW, Sarantakis D, Shieh HM, Yu M, Valderramos JC, Lucumi E, Kuo M, Jacobs WR Jr, Fidock DA, Schiehser GA, Jacobus DP, Sacchettini JC Bioorg Med Chem Lett. 2005 Dec 1;15(23):5247-52. Epub 2005 Sep 29. PMID:16198563<ref>PMID:16198563</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 1zw1" style="background-color:#fffaf0;"></div>
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==See Also==
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The line below this paragraph, {{ABSTRACT_PUBMED_16198563}}, adds the Publication Abstract to the page
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*[[Enoyl-Acyl-Carrier Protein Reductase 3D structures|Enoyl-Acyl-Carrier Protein Reductase 3D structures]]
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(as it appears on PubMed at http://www.pubmed.gov), where 16198563 is the PubMed ID number.
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== References ==
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<references/>
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{{ABSTRACT_PUBMED_16198563}}
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__TOC__
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</StructureSection>
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==About this Structure==
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[[Category: Large Structures]]
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1ZW1 is a 2 chains structure of sequences from [http://en.wikipedia.org/wiki/Plasmodium_falciparum Plasmodium falciparum]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1ZW1 OCA].
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==Reference==
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<ref group="xtra">PMID:16198563</ref><references group="xtra"/>
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[[Category: Plasmodium falciparum]]
[[Category: Plasmodium falciparum]]
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[[Category: Anderson, J W.]]
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[[Category: Anderson JW]]
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[[Category: Fidock, D A.]]
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[[Category: Fidock DA]]
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[[Category: Freundlich, J S.]]
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[[Category: Freundlich JS]]
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[[Category: Jacobus, D P.]]
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[[Category: Jacobs Jr WR]]
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[[Category: Jr., W R.Jacobs.]]
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[[Category: Jacobus DP]]
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[[Category: Kuo, M.]]
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[[Category: Kuo M]]
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[[Category: Lucumi, E.]]
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[[Category: Lucumi E]]
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[[Category: Sacchettini, J C.]]
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[[Category: Sacchettini JC]]
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[[Category: Sarantakis, D.]]
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[[Category: Sarantakis D]]
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[[Category: Schiehser, G A.]]
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[[Category: Schiehser GA]]
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[[Category: Shieh, H M.]]
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[[Category: Shieh HM]]
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[[Category: Yu, M.]]
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[[Category: Yu M]]
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[[Category: Oxidoreductase]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Feb 16 17:52:17 2009''
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Current revision

Synthesis, Biological Activity, and X-Ray Crystal Structural Analysis of Diaryl Ether Inhibitors of Malarial Enoyl ACP Reductase. Part 1:4'-Substituted Triclosan Derivatives

PDB ID 1zw1

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