2oz2

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[[Image:2oz2.png|left|200px]]
 
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==Crystal structure analysis of cruzain bound to vinyl sulfone derived inhibitor (K11777)==
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The line below this paragraph, containing "STRUCTURE_2oz2", creates the "Structure Box" on the page.
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<StructureSection load='2oz2' size='340' side='right'caption='[[2oz2]], [[Resolution|resolution]] 1.95&Aring;' scene=''>
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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'>[[2oz2]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Trycr Trycr]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2OZ2 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2OZ2 FirstGlance]. <br>
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</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=D1R:NALPHA-[(4-METHYLPIPERAZIN-1-YL)CARBONYL]-N-{(1S)-3-PHENYL-1-[2-(PHENYLSULFONYL)ETHYL]PROPYL}-L-PHENYLALANINAMIDE'>D1R</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene></td></tr>
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<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[https://en.wikipedia.org/wiki/Cruzipain Cruzipain], with EC number [https://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.22.51 3.4.22.51] </span></td></tr>
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{{STRUCTURE_2oz2| PDB=2oz2 | 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=2oz2 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2oz2 OCA], [https://pdbe.org/2oz2 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2oz2 RCSB], [https://www.ebi.ac.uk/pdbsum/2oz2 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2oz2 ProSAT]</span></td></tr>
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</table>
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== Function ==
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[[https://www.uniprot.org/uniprot/CYSP_TRYCR CYSP_TRYCR]] Hydrolyzes chromogenic peptides at the carboxyl Arg or Lys; requires at least one more amino acid, preferably Arg, Phe, Val or Leu, between the terminal Arg or Lys and the amino-blocking group. The cysteine protease may play an important role in the development and differentiation of the parasites at several stages of their life cycle.
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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/oz/2oz2_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=2oz2 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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Cysteine proteases of the papain superfamily are implicated in a number of cellular processes and are important virulence factors in the pathogenesis of parasitic disease. These enzymes have therefore emerged as promising targets for antiparasitic drugs. We report the crystal structures of three major parasite cysteine proteases, cruzain, falcipain-3, and the first reported structure of rhodesain, in complex with a class of potent, small molecule, cysteine protease inhibitors, the vinyl sulfones. These data, in conjunction with comparative inhibition kinetics, provide insight into the molecular mechanisms that drive cysteine protease inhibition by vinyl sulfones, the binding specificity of these important proteases and the potential of vinyl sulfones as antiparasitic drugs.
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===Crystal structure analysis of cruzain bound to vinyl sulfone derived inhibitor (K11777)===
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Vinyl sulfones as antiparasitic agents and a structural basis for drug design.,Kerr ID, Lee JH, Farady CJ, Marion R, Rickert M, Sajid M, Pandey KC, Caffrey CR, Legac J, Hansell E, McKerrow JH, Craik CS, Rosenthal PJ, Brinen LS J Biol Chem. 2009 Sep 18;284(38):25697-703. Epub 2009 Jul 20. PMID:19620707<ref>PMID:19620707</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 2oz2" style="background-color:#fffaf0;"></div>
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==See Also==
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The line below this paragraph, {{ABSTRACT_PUBMED_19620707}}, adds the Publication Abstract to the page
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*[[Cruzain|Cruzain]]
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(as it appears on PubMed at http://www.pubmed.gov), where 19620707 is the PubMed ID number.
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== References ==
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<references/>
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{{ABSTRACT_PUBMED_19620707}}
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__TOC__
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</StructureSection>
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==About this Structure==
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[[2oz2]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Trypanosoma_cruzi Trypanosoma cruzi]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2OZ2 OCA].
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==Reference==
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<ref group="xtra">PMID:019620707</ref><references group="xtra"/>
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[[Category: Cruzipain]]
[[Category: Cruzipain]]
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[[Category: Trypanosoma cruzi]]
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[[Category: Large Structures]]
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[[Category: Brinen, L.]]
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[[Category: Trycr]]
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[[Category: Rickert, M.]]
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[[Category: Brinen, L]]
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[[Category: Rickert, M]]
[[Category: Covalent inhibitor]]
[[Category: Covalent inhibitor]]
[[Category: Cysteine protease]]
[[Category: Cysteine protease]]
[[Category: Hydrolase]]
[[Category: Hydrolase]]
[[Category: Vinyl sulfoneamide derived]]
[[Category: Vinyl sulfoneamide derived]]

Current revision

Crystal structure analysis of cruzain bound to vinyl sulfone derived inhibitor (K11777)

PDB ID 2oz2

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