2vev

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[[Image:2vev.jpg|left|200px]]<br /><applet load="2vev" size="350" color="white" frame="true" align="right" spinBox="true"
 
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caption="2vev, resolution 1.8&Aring;" />
 
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'''CRYSTAL STRUCUTRE OF PROTEIN TYROSINE PHOSPHATASE 1B IN COMPLEX WITH AN ISOTHIAZOLIDINONE-CONTAINING INHIBITOR'''<br />
 
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==Overview==
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==CRYSTAL STRUCTURE OF PROTEIN TYROSINE PHOSPHATASE 1B IN COMPLEX WITH AN ISOTHIAZOLIDINONE-CONTAINING INHIBITOR==
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The structure-based design and synthesis of isothiazolidinone (IZD), inhibitors of PTP1B containing imidazoles and imidazolines and their, modification to interact with the B site of PTP1B are described here. The, X-ray crystal structures of 3I and 4I complexed with PTP1B were solved and, revealed the inhibitors are interacting extensively with the B site of the, enzyme.
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<StructureSection load='2vev' size='340' side='right'caption='[[2vev]], [[Resolution|resolution]] 1.80&Aring;' scene=''>
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== Structural highlights ==
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<table><tr><td colspan='2'>[[2vev]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2VEV OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2VEV 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]] 1.8&#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=IZ2:N-[(1S)-1-(4-BENZYL-1H-IMIDAZOL-2-YL)-2-{4-[(5S)-1,1-DIOXIDO-3-OXOISOTHIAZOLIDIN-5-YL]PHENYL}ETHYL]-3-(TRIFLUOROMETHYL)BENZENESULFONAMIDE'>IZ2</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</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=2vev FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2vev OCA], [https://pdbe.org/2vev PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2vev RCSB], [https://www.ebi.ac.uk/pdbsum/2vev PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2vev ProSAT]</span></td></tr>
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</table>
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== Function ==
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[https://www.uniprot.org/uniprot/PTN1_HUMAN PTN1_HUMAN] Tyrosine-protein phosphatase which acts as a regulator of endoplasmic reticulum unfolded protein response. Mediates dephosphorylation of EIF2AK3/PERK; inactivating the protein kinase activity of EIF2AK3/PERK. May play an important role in CKII- and p60c-src-induced signal transduction cascades. May regulate the EFNA5-EPHA3 signaling pathway which modulates cell reorganization and cell-cell repulsion.<ref>PMID:21135139</ref> <ref>PMID:22169477</ref>
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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/ve/2vev_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=2vev 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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The structure-based design and synthesis of isothiazolidinone (IZD) inhibitors of PTP1B containing imidazoles and imidazolines and their modification to interact with the B site of PTP1B are described here. The X-ray crystal structures of 3I and 4I complexed with PTP1B were solved and revealed the inhibitors are interacting extensively with the B site of the enzyme.
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==About this Structure==
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Isothiazolidinone inhibitors of PTP1B containing imidazoles and imidazolines.,Douty B, Wayland B, Ala PJ, Bower MJ, Pruitt J, Bostrom L, Wei M, Klabe R, Gonneville L, Wynn R, Burn TC, Liu PC, Combs AP, Yue EW Bioorg Med Chem Lett. 2008 Jan 1;18(1):66-71. Epub 2007 Nov 9. PMID:18037290<ref>PMID:18037290</ref>
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2VEV is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens] with <scene name='pdbligand=MG:'>MG</scene> and <scene name='pdbligand=IZ2:'>IZ2</scene> 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=AC1:Iz2 Binding Site For Chain A'>AC1</scene> and <scene name='pdbsite=AC2:Mg Binding Site For Chain A'>AC2</scene>. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2VEV OCA].
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==Reference==
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From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
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Isothiazolidinone inhibitors of PTP1B containing imidazoles and imidazolines., Douty B, Wayland B, Ala PJ, Bower MJ, Pruitt J, Bostrom L, Wei M, Klabe R, Gonneville L, Wynn R, Burn TC, Liu PC, Combs AP, Yue EW, Bioorg Med Chem Lett. 2008 Jan 1;18(1):66-71. Epub 2007 Nov 9. PMID:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=18037290 18037290]
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</div>
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[[Category: Homo sapiens]]
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<div class="pdbe-citations 2vev" style="background-color:#fffaf0;"></div>
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[[Category: Protein-tyrosine-phosphatase]]
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[[Category: Single protein]]
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[[Category: Ala, P.J.]]
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[[Category: Bostrom, L.]]
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[[Category: Bower, M.J.]]
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[[Category: Burn, T.C.]]
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[[Category: Combs, A.P.]]
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[[Category: Douty, B.]]
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[[Category: Gonneville, L.]]
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[[Category: Klabe, R.]]
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[[Category: Liu, P.C.C.]]
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[[Category: Pruitt, J.]]
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[[Category: Wayland, B.]]
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[[Category: Wei, M.]]
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[[Category: Wynn, R.]]
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[[Category: Yue, E.W.]]
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[[Category: IZ2]]
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[[Category: MG]]
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[[Category: acetylation]]
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[[Category: endoplasmic reticulum]]
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[[Category: hydrolase]]
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[[Category: membrane]]
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[[Category: oxidation]]
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[[Category: phosphatase]]
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[[Category: phosphorylation]]
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[[Category: polymorphism]]
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[[Category: protein phosphatase]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Wed Jan 23 10:45:51 2008''
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==See Also==
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*[[Tyrosine phosphatase 3D structures|Tyrosine phosphatase 3D structures]]
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== References ==
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<references/>
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__TOC__
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</StructureSection>
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[[Category: Homo sapiens]]
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[[Category: Large Structures]]
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[[Category: Ala PJ]]
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[[Category: Bostrom L]]
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[[Category: Bower MJ]]
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[[Category: Burn TC]]
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[[Category: Combs AP]]
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[[Category: Douty B]]
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[[Category: Gonneville L]]
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[[Category: Klabe R]]
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[[Category: Liu PCC]]
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[[Category: Pruitt J]]
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[[Category: Wayland B]]
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[[Category: Wei M]]
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[[Category: Wynn R]]
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[[Category: Yue EW]]

Current revision

CRYSTAL STRUCTURE OF PROTEIN TYROSINE PHOSPHATASE 1B IN COMPLEX WITH AN ISOTHIAZOLIDINONE-CONTAINING INHIBITOR

PDB ID 2vev

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