1ytw

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[[Image:1ytw.jpg|left|200px]]<br /><applet load="1ytw" size="450" color="white" frame="true" align="right" spinBox="true"
 
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caption="1ytw, resolution 2.4&Aring;" />
 
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'''YERSINIA PTPASE COMPLEXED WITH TUNGSTATE'''<br />
 
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==Overview==
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==YERSINIA PTPASE COMPLEXED WITH TUNGSTATE==
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X-ray crystal structures of the Yersinia tyrosine phosphatase (PTPase) in, complex with tungstate and nitrate have been solved to 2. 4-A resolution., Tetrahedral tungstate, WO42-, is a competitive inhibitor of the enzyme and, is isosteric with the substrate and product of the catalyzed reaction., Planar nitrate, NO3-, is isosteric with the PO3 moiety of a, phosphotransfer transition state. The crystal structures of the Yersinia, PTPase with and without ligands, together with biochemical data, permit, modeling of key steps along the reaction pathway. These energy-minimized, models are consistent with a general acid-catalyzed, in-line displacement, of the phosphate moiety to Cys403 on the enzyme, followed by attack by a, nucleophilic water molecule to release orthophosphate. This nucleophilic, water molecule is identified in the crystal structure of the nitrate, complex. The active site structure of the PTPase is compared to alkaline, phosphatase, which employs a similar phosphomonoester hydrolysis, mechanism. Both enzymes must stabilize charges at the nucleophile, the PO3, moiety of the transition state, and the leaving group. Both an associative, (bond formation preceding bond cleavage) and a dissociative (bond cleavage, preceding bond formation) mechanism were modeled, but a dissociative-like, mechanism is favored for steric and chemical reasons. Since nearly all of, the 47 invariant or highly conserved residues of the PTPase domain are, clustered at the active site, we suggest that the mechanism postulated for, the Yersinia enzyme is applicable to all the PTPases.
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<StructureSection load='1ytw' size='340' side='right'caption='[[1ytw]], [[Resolution|resolution]] 2.40&Aring;' scene=''>
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== Structural highlights ==
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<table><tr><td colspan='2'>[[1ytw]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Yersinia_enterocolitica Yersinia enterocolitica]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1YTW OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1YTW 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]] 2.4&#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=SO4:SULFATE+ION'>SO4</scene>, <scene name='pdbligand=WO4:TUNGSTATE(VI)ION'>WO4</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=1ytw FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1ytw OCA], [https://pdbe.org/1ytw PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1ytw RCSB], [https://www.ebi.ac.uk/pdbsum/1ytw PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1ytw ProSAT]</span></td></tr>
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</table>
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== Function ==
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[https://www.uniprot.org/uniprot/YOPH_YEREN YOPH_YEREN] Essential virulence determinant. This protein is a protein tyrosine phosphatase. The essential function of YopH in Yersinia pathogenesis is host-protein dephosphorylation. It contributes to the ability of the bacteria to resist phagocytosis by peritoneal macrophages.
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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/yt/1ytw_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=1ytw ConSurf].
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<div style="clear:both"></div>
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==About this Structure==
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==See Also==
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1YTW is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Yersinia_enterocolitica Yersinia enterocolitica] with WO4 and SO4 as [http://en.wikipedia.org/wiki/ligands ligands]. Active as [http://en.wikipedia.org/wiki/Protein-tyrosine-phosphatase Protein-tyrosine-phosphatase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.1.3.48 3.1.3.48] Known structural/functional Sites: <scene name='pdbsite=PL:The Phosphate-Binding Loop Containing The Catalytic Cons ...'>PL</scene> and <scene name='pdbsite=WPD:The Flexible Loop Containing The Putative General Acid, ...'>WPD</scene>. Full crystallographic information is available from [http://ispc.weizmann.ac.il/oca-bin/ocashort?id=1YTW OCA].
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*[[Tyrosine phosphatase 3D structures|Tyrosine phosphatase 3D structures]]
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__TOC__
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==Reference==
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</StructureSection>
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The X-ray crystal structures of Yersinia tyrosine phosphatase with bound tungstate and nitrate. Mechanistic implications., Fauman EB, Yuvaniyama C, Schubert HL, Stuckey JA, Saper MA, J Biol Chem. 1996 Aug 2;271(31):18780-8. PMID:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=8702535 8702535]
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[[Category: Large Structures]]
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[[Category: Protein-tyrosine-phosphatase]]
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[[Category: Single protein]]
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[[Category: Yersinia enterocolitica]]
[[Category: Yersinia enterocolitica]]
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[[Category: Fauman, E.B.]]
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[[Category: Fauman EB]]
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[[Category: Saper, M.A.]]
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[[Category: Saper MA]]
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[[Category: Schubert, H.L.]]
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[[Category: Schubert HL]]
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[[Category: SO4]]
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[[Category: WO4]]
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[[Category: hydrolase]]
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[[Category: protein tyrosine phosphatase]]
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''Page seeded by [http://ispc.weizmann.ac.il/oca OCA ] on Tue Dec 18 18:41:59 2007''
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Current revision

YERSINIA PTPASE COMPLEXED WITH TUNGSTATE

PDB ID 1ytw

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