3ny6

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{{STRUCTURE_3ny6| PDB=3ny6 | SCENE= }}
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==Catalytic fragment of cholix toxin from vibrio cholerae in complex with inhibitor V30==
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===Catalytic fragment of cholix toxin from vibrio cholerae in complex with inhibitor V30===
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<StructureSection load='3ny6' size='340' side='right' caption='[[3ny6]], [[Resolution|resolution]] 1.68&Aring;' scene=''>
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{{ABSTRACT_PUBMED_21135177}}
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== Structural highlights ==
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<table><tr><td colspan='2'>[[3ny6]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Vibrio_cholerae Vibrio cholerae]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3NY6 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3NY6 FirstGlance]. <br>
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</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=PO4:PHOSPHATE+ION'>PO4</scene>, <scene name='pdbligand=V30:2-[(5,6-DIMETHYL-4-OXO-3,4-DIHYDROTHIENO[2,3-D]PYRIMIDIN-2-YL)SULFANYL]-N-(2-HYDROXYETHYL)ACETAMIDE'>V30</scene></td></tr>
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<tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[2q6m|2q6m]], [[3ess|3ess]], [[3ki0|3ki0]], [[3ki1|3ki1]], [[3ki2|3ki2]], [[3ki3|3ki3]], [[3ki4|3ki4]], [[3ki5|3ki5]], [[3ki6|3ki6]], [[3ki7|3ki7]]</td></tr>
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<tr id='gene'><td class="sblockLbl"><b>[[Gene|Gene:]]</b></td><td class="sblockDat">chxa, toxA ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=666 Vibrio cholerae])</td></tr>
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<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/NAD(+)--diphthamide_ADP-ribosyltransferase NAD(+)--diphthamide ADP-ribosyltransferase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.4.2.36 2.4.2.36] </span></td></tr>
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<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3ny6 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3ny6 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3ny6 RCSB], [http://www.ebi.ac.uk/pdbsum/3ny6 PDBsum]</span></td></tr>
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</table>
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<div style="background-color:#fffaf0;">
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== Publication Abstract from PubMed ==
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The mono-ADP-ribosyltransferase toxins are bacterial virulence factors that contribute to many disease states in plants, animals and humans. These toxins function as enzymes that target various host proteins and covalently attach an ADP-ribose moiety that alters target protein function. We tested compounds from a virtual screen of commercially available compounds combined with a directed PARP inhibitor library and found several compounds that bind tightly and inhibit toxins from Pseudomonas aeruginosa and Vibrio cholerae. The most efficacious compounds completely protected human lung epithelial cells against the cytotoxicity of these bacterial virulence factors. Moreover, we determined high-resolution crystal structures of the best inhibitors in complex with cholix toxin to reveal important criteria for inhibitor binding and mechanism of action. These results provide new insight in antivirulence compound development for treating many bacterial diseases.
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==Function==
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Newly Discovered and Characterized Antivirulence Compounds inhibit Bacterial Mono-ADP-ribosyltransferase Toxins.,Turgeon Z, Jorgensen R, Visschedyk D, Edwards PR, Legree S, McGregor C, Fieldhouse RJ, Mangroo D, Schapira M, Merrill AR Antimicrob Agents Chemother. 2010 Dec 6. PMID:21135177<ref>PMID:21135177</ref>
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[[http://www.uniprot.org/uniprot/Q5EK40_VIBCH Q5EK40_VIBCH]] An NAD-dependent ADP-ribosyltransferase (ADPRT), it catalyzes the transfer of the ADP-ribosyl moiety of oxidized NAD onto eukaryotic elongation factor 2 (eEF-2) thus arresting protein synthesis. It probably uses the eukaryotic prolow-density lipoprotein receptor-related protein 1 (LRP1) to enter mouse cells, although there seems to be at least one other receptor as well. Is active against mouse fibroblasts, Chinese hamster ovary eEF-2, brine shrimp (Artemia spp. nauplii) and upon expression in S.cerevisiae.<ref>PMID:18276581</ref> <ref>PMID:19793133</ref>
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==About this Structure==
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From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
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[[3ny6]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Vibrio_cholerae Vibrio cholerae]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3NY6 OCA].
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</div>
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==Reference==
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==See Also==
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<ref group="xtra">PMID:021135177</ref><references group="xtra"/><references/>
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*[[Exotoxin|Exotoxin]]
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== References ==
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<references/>
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__TOC__
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</StructureSection>
[[Category: Vibrio cholerae]]
[[Category: Vibrio cholerae]]
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[[Category: Jorgensen, R.]]
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[[Category: Jorgensen, R]]
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[[Category: Merrill, A R.]]
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[[Category: Merrill, A R]]
[[Category: Adp-ribosyl transferase]]
[[Category: Adp-ribosyl transferase]]
[[Category: Alpha-beta complex]]
[[Category: Alpha-beta complex]]

Revision as of 06:55, 19 December 2014

Catalytic fragment of cholix toxin from vibrio cholerae in complex with inhibitor V30

3ny6, resolution 1.68Å

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