3iex

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{{Seed}}
 
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[[Image:3iex.jpg|left|200px]]
 
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==Schistosoma Purine nucleoside phosphorylase in complex with guanosine==
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The line below this paragraph, containing "STRUCTURE_3iex", creates the "Structure Box" on the page.
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<StructureSection load='3iex' size='340' side='right'caption='[[3iex]], [[Resolution|resolution]] 2.05&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'>[[3iex]] is a 3 chain structure with sequence from [https://en.wikipedia.org/wiki/Schistosoma_mansoni Schistosoma mansoni]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3IEX OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3IEX 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]] 2.05&#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=ACT:ACETATE+ION'>ACT</scene>, <scene name='pdbligand=DMS:DIMETHYL+SULFOXIDE'>DMS</scene>, <scene name='pdbligand=GMP:GUANOSINE'>GMP</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene></td></tr>
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{{STRUCTURE_3iex| PDB=3iex | 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=3iex FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3iex OCA], [https://pdbe.org/3iex PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3iex RCSB], [https://www.ebi.ac.uk/pdbsum/3iex PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3iex ProSAT]</span></td></tr>
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</table>
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== Function ==
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[https://www.uniprot.org/uniprot/Q9BMI9_SCHMA Q9BMI9_SCHMA] The purine nucleoside phosphorylases catalyze the phosphorolytic breakdown of the N-glycosidic bond in the beta-(deoxy)ribonucleoside molecules, with the formation of the corresponding free purine bases and pentose-1-phosphate (By similarity).[PIRNR:PIRNR000477]
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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/ie/3iex_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=3iex 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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Selectivity plays a crucial role in the design of enzyme inhibitors as novel antiparasitic agents, particularly in cases where the target enzyme is also present in the human host. Purine nucleoside phosphorylase from Schistosoma mansoni (SmPNP) is an attractive target for the discovery of potential antischistosomal agents. In the present work, kinetic studies were carried out in order to determine the inhibitory potency, mode of action and enzyme selectivity of a series of inhibitors of SmPNP. In addition, crystallographic studies provided important structural insights for rational inhibitor design, revealing consistent structural differences in the binding mode of the inhibitors in the active sites of the SmPNP and human PNP (HsPNP) structures. The molecular information gathered in this work should be useful for future medicinal chemistry efforts in the design of new inhibitors of SmPNP having increased affinity and selectivity.
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===Schistosoma Purine nucleoside phosphorylase in complex with guanosine===
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Structural basis for selective inhibition of purine nucleoside phosphorylase from Schistosoma mansoni: kinetic and structural studies.,Castilho MS, Postigo MP, Pereira HM, Oliva G, Andricopulo AD Bioorg Med Chem. 2010 Feb 15;18(4):1421-7. Epub 2010 Jan 18. PMID:20129792<ref>PMID:20129792</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 3iex" style="background-color:#fffaf0;"></div>
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==See Also==
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The line below this paragraph, {{ABSTRACT_PUBMED_20129792}}, adds the Publication Abstract to the page
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*[[Purine nucleoside phosphorylase 3D structures|Purine nucleoside phosphorylase 3D structures]]
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(as it appears on PubMed at http://www.pubmed.gov), where 20129792 is the PubMed ID number.
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== References ==
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<references/>
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{{ABSTRACT_PUBMED_20129792}}
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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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3IEX is a 3 chains structure with sequences from [http://en.wikipedia.org/wiki/Schistosoma_mansoni Schistosoma mansoni]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3IEX OCA].
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==Reference==
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<ref group="xtra">PMID:20129792</ref><references group="xtra"/>
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[[Category: Purine-nucleoside phosphorylase]]
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[[Category: Schistosoma mansoni]]
[[Category: Schistosoma mansoni]]
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[[Category: Andricopulo, A D.]]
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[[Category: Andricopulo AD]]
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[[Category: Castilho, M S.]]
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[[Category: Castilho MS]]
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[[Category: Oliva, G.]]
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[[Category: Oliva G]]
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[[Category: Pereira, H M.]]
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[[Category: Pereira HM]]
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[[Category: Glycosyltransferase]]
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[[Category: Purine nucleoside phosphorylase]]
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[[Category: Transferase]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Wed Mar 17 09:34:00 2010''
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Current revision

Schistosoma Purine nucleoside phosphorylase in complex with guanosine

PDB ID 3iex

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