2p7u

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[[Image:2p7u.png|left|200px]]
 
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==The crystal structure of rhodesain, the major cysteine protease of T. brucei rhodesiense, bound to inhibitor K777==
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The line below this paragraph, containing "STRUCTURE_2p7u", creates the "Structure Box" on the page.
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<StructureSection load='2p7u' size='340' side='right'caption='[[2p7u]], [[Resolution|resolution]] 1.65&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'>[[2p7u]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Trypanosoma_brucei_rhodesiense Trypanosoma brucei rhodesiense]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2P7U OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2P7U FirstGlance]. <br>
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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]] 1.65&#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=D1R:NALPHA-[(4-METHYLPIPERAZIN-1-YL)CARBONYL]-N-{(1S)-3-PHENYL-1-[2-(PHENYLSULFONYL)ETHYL]PROPYL}-L-PHENYLALANINAMIDE'>D1R</scene></td></tr>
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{{STRUCTURE_2p7u| PDB=2p7u | 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=2p7u FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2p7u OCA], [https://pdbe.org/2p7u PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2p7u RCSB], [https://www.ebi.ac.uk/pdbsum/2p7u PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2p7u ProSAT]</span></td></tr>
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</table>
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== Function ==
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[https://www.uniprot.org/uniprot/Q95PM0_TRYBR Q95PM0_TRYBR]
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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/p7/2p7u_consurf.spt"</scriptWhenChecked>
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<scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview03.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=2p7u 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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===The crystal structure of rhodesain, the major cysteine protease of T. brucei rhodesiense, bound to inhibitor K777===
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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 2p7u" style="background-color:#fffaf0;"></div>
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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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[[Category: Large Structures]]
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[[2p7u]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Trypanosoma_brucei_rhodesiense Trypanosoma brucei rhodesiense]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2P7U OCA].
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==Reference==
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<ref group="xtra">PMID:019620707</ref><references group="xtra"/>
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[[Category: Trypanosoma brucei rhodesiense]]
[[Category: Trypanosoma brucei rhodesiense]]
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[[Category: Brinen, L S.]]
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[[Category: Brinen LS]]
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[[Category: Marion, R.]]
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[[Category: Marion R]]
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[[Category: Cysteine protease]]
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[[Category: Hydrolase]]
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[[Category: Neglected disease]]
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[[Category: Trypanosoma brucei]]
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Current revision

The crystal structure of rhodesain, the major cysteine protease of T. brucei rhodesiense, bound to inhibitor K777

PDB ID 2p7u

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