View source for 2ydu


==Crystal structure of YopH in complex with 3-(1,1-dioxido-3- oxoisothiazolidin-5-yl)benzaldeyde==
<StructureSection load='2ydu' size='340' side='right'caption='[[2ydu]], [[Resolution|resolution]] 1.79&Aring;' scene=''>
== Structural highlights ==
<table><tr><td colspan='2'>[[2ydu]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Yersinia_pestis Yersinia pestis]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2YDU OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2YDU FirstGlance]. <br>
</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 1.79&#8491;</td></tr>
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=79W:3-[(2S)-1,1-DIOXIDO-4-OXOTETRAHYDROTHIOPHEN-2-YL]BENZALDEHYDE'>79W</scene></td></tr>
<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=2ydu FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2ydu OCA], [https://pdbe.org/2ydu PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2ydu RCSB], [https://www.ebi.ac.uk/pdbsum/2ydu PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2ydu ProSAT]</span></td></tr>
</table>
== Function ==
[https://www.uniprot.org/uniprot/O68720_YERPE O68720_YERPE] 
<div style="background-color:#fffaf0;">
== Publication Abstract from PubMed ==
Isothiazolidinone (IZD) heterocycles can act as effective components of protein tyrosine phosphatase (PTP) inhibitors by simultaneously replicating the binding interactions of both a phosphoryl group and a highly conserved water molecule, as exemplified by the structures of several PTP1B-inhibitor complexes. In the first unambiguous demonstration of IZD interactions with a PTP other than PTP1B, it is shown by X-ray crystallography that the IZD motif binds within the catalytic site of the Yersinia pestis PTP YopH by similarly displacing a highly conserved water molecule. It is also shown that IZD-based bidentate ligands can inhibit YopH in a nonpromiscuous fashion at low micromolar concentrations. Hence, the IZD moiety may represent a useful starting point for the development of YopH inhibitors.

Isothiazolidinone (IZD) as a phosphoryl mimetic in inhibitors of the Yersinia pestis protein tyrosine phosphatase YopH.,Kim SE, Bahta M, Lountos GT, Ulrich RG, Burke TR Jr, Waugh DS Acta Crystallogr D Biol Crystallogr. 2011 Jul;67(Pt 7):639-45. doi:, 10.1107/S0907444911018610. Epub 2011 Jun 11. PMID:21697602<ref>PMID:21697602</ref>

From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
</div>
<div class="pdbe-citations 2ydu" style="background-color:#fffaf0;"></div>
== References ==
<references/>
__TOC__
</StructureSection>
[[Category: Large Structures]]
[[Category: Yersinia pestis]]
[[Category: Bahta M]]
[[Category: Burke TR]]
[[Category: Kim SE]]
[[Category: Lountos GT]]
[[Category: Ulrich RG]]
[[Category: Waugh DS]]