3pa8

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{{STRUCTURE_3pa8| PDB=3pa8 | SCENE= }}
 
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===Structure of the C. difficile TcdB cysteine protease domain in complex with a peptide inhibitor===
 
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{{ABSTRACT_PUBMED_21095570}}
 
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==About this Structure==
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==Structure of the C. difficile TcdB cysteine protease domain in complex with a peptide inhibitor==
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[[3pa8]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Clostridium_difficile_630 Clostridium difficile 630]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3PA8 OCA].
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<StructureSection load='3pa8' size='340' side='right'caption='[[3pa8]], [[Resolution|resolution]] 2.00&Aring;' scene=''>
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== Structural highlights ==
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<table><tr><td colspan='2'>[[3pa8]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Clostridioides_difficile_630 Clostridioides difficile 630]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3PA8 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3PA8 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]] 2&#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=621:N-ACETYLGLYCYL-N-[(3S)-1-HYDROXY-5-METHYL-2-OXOHEXAN-3-YL]-L-SERINAMIDE'>621</scene>, <scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=IHP:INOSITOL+HEXAKISPHOSPHATE'>IHP</scene>, <scene name='pdbligand=NA:SODIUM+ION'>NA</scene></td></tr>
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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=3pa8 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3pa8 OCA], [https://pdbe.org/3pa8 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3pa8 RCSB], [https://www.ebi.ac.uk/pdbsum/3pa8 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3pa8 ProSAT]</span></td></tr>
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</table>
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== Function ==
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[https://www.uniprot.org/uniprot/Q189K3_CLOD6 Q189K3_CLOD6]
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<div style="background-color:#fffaf0;">
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== Publication Abstract from PubMed ==
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Clostridium difficile is a leading cause of nosocomial infections. The major virulence factors of this pathogen are the multi-domain toxins TcdA and TcdB. These toxins contain a cysteine protease domain (CPD) that autoproteolytically releases a cytotoxic effector domain upon binding intracellular inositol hexakisphosphate. Currently, there are no known inhibitors of this protease. Here, we describe the rational design of covalent small molecule inhibitors of TcdB CPD. We identified compounds that inactivate TcdB holotoxin function in cells and solved the structure of inhibitor-bound protease to 2.0 A. This structure reveals the molecular basis of CPD substrate recognition and informed the synthesis of activity-based probes for this enzyme. The inhibitors presented will guide the development of therapeutics targeting C. difficile, and the probes will serve as tools for studying the unique activation mechanism of bacterial toxin CPDs.
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==Reference==
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Rational design of inhibitors and activity-based probes targeting Clostridium difficile virulence factor TcdB.,Puri AW, Lupardus PJ, Deu E, Albrow VE, Garcia KC, Bogyo M, Shen A Chem Biol. 2010 Nov 24;17(11):1201-11. PMID:21095570<ref>PMID:21095570</ref>
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<ref group="xtra">PMID:021095570</ref><references group="xtra"/><references/>
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[[Category: Clostridium difficile 630]]
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From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
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[[Category: Garcia, K C.]]
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</div>
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[[Category: Lupardus, P J.]]
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<div class="pdbe-citations 3pa8" style="background-color:#fffaf0;"></div>
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[[Category: Clan cd cysteine protease]]
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== References ==
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[[Category: Protease]]
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<references/>
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[[Category: Toxin]]
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__TOC__
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[[Category: Toxin-peptide inhibitor complex]]
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</StructureSection>
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[[Category: Clostridioides difficile 630]]
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[[Category: Large Structures]]
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[[Category: Garcia KC]]
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[[Category: Lupardus PJ]]

Current revision

Structure of the C. difficile TcdB cysteine protease domain in complex with a peptide inhibitor

PDB ID 3pa8

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