2oqw

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{{Seed}}
 
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[[Image:2oqw.png|left|200px]]
 
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==The crystal structure of sortase B from B.anthracis in complex with AAEK1==
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The line below this paragraph, containing "STRUCTURE_2oqw", creates the "Structure Box" on the page.
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<StructureSection load='2oqw' size='340' side='right'caption='[[2oqw]], [[Resolution|resolution]] 2.10&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'>[[2oqw]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Bacillus_anthracis_str._Ames Bacillus anthracis str. Ames]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2OQW OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2OQW 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]] 2.1&#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=CS3:S-[3-OXO-3-(2-THIENYL)PROPYL]-L-CYSTEINE'>CS3</scene>, <scene name='pdbligand=MSE:SELENOMETHIONINE'>MSE</scene></td></tr>
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{{STRUCTURE_2oqw| PDB=2oqw | 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=2oqw FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2oqw OCA], [https://pdbe.org/2oqw PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2oqw RCSB], [https://www.ebi.ac.uk/pdbsum/2oqw PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2oqw ProSAT]</span></td></tr>
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</table>
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== Function ==
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[https://www.uniprot.org/uniprot/A0A6L8PZR0_BACAN A0A6L8PZR0_BACAN]
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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/oq/2oqw_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=2oqw 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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Sortases anchor surface proteins to the cell wall of Gram-positive pathogens through recognition of specific motif sequences. Loss of sortase leads to large reductions in virulence, which identifies sortase as a target for the development of antibacterials. By screening 135,625 small molecules for inhibition, we report here that aryl (beta-amino)ethyl ketones inhibit sortase enzymes from staphylococci and bacilli. Inhibition of sortases occurs through an irreversible, covalent modification of their active site cysteine. Sortases specifically activate this class of molecules via beta-elimination, generating a reactive olefin intermediate that covalently modifies the cysteine thiol. Analysis of the three-dimensional structure of Bacillus anthracis sortase B with and without inhibitor provides insights into the mechanism of inhibition and reveals binding pockets that can be exploited for drug discovery.
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===The crystal structure of sortase B from B.anthracis in complex with AAEK1===
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Activation of inhibitors by sortase triggers irreversible modification of the active site.,Maresso AW, Wu R, Kern JW, Zhang R, Janik D, Missiakas DM, Duban ME, Joachimiak A, Schneewind O J Biol Chem. 2007 Aug 10;282(32):23129-39. Epub 2007 Jun 1. PMID:17545669<ref>PMID:17545669</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_17545669}}, adds the Publication Abstract to the page
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<div class="pdbe-citations 2oqw" style="background-color:#fffaf0;"></div>
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(as it appears on PubMed at http://www.pubmed.gov), where 17545669 is the PubMed ID number.
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== References ==
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<references/>
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{{ABSTRACT_PUBMED_17545669}}
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__TOC__
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</StructureSection>
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==About this Structure==
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[[Category: Bacillus anthracis str. Ames]]
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2OQW is a [[Single protein]] structure of sequence from [http://en.wikipedia.org/wiki/Bacillus_anthracis_str._ames Bacillus anthracis str. ames]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2OQW OCA].
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[[Category: Large Structures]]
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[[Category: Joachimiak A]]
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==Reference==
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[[Category: Marresso AW]]
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Activation of inhibitors by sortase triggers irreversible modification of the active site., Maresso AW, Wu R, Kern JW, Zhang R, Janik D, Missiakas DM, Duban ME, Joachimiak A, Schneewind O, J Biol Chem. 2007 Aug 10;282(32):23129-39. Epub 2007 Jun 1. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/17545669 17545669]
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[[Category: Schneewind O]]
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[[Category: Bacillus anthracis str. ames]]
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[[Category: Wu R]]
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[[Category: Single protein]]
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[[Category: Zhang R]]
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[[Category: Joachimiak, A.]]
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[[Category: Marresso, A W.]]
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[[Category: Schneewind, O.]]
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[[Category: Wu, R.]]
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[[Category: Zhang, R.]]
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[[Category: B. anthracis]]
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[[Category: Glrce]]
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[[Category: Hydrolase]]
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[[Category: Inhibitor]]
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[[Category: Sortaseb protein]]
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[[Category: The great lakes regional center of excellence]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Jul 28 08:14:27 2008''
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Current revision

The crystal structure of sortase B from B.anthracis in complex with AAEK1

PDB ID 2oqw

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