2ceq

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[[Image:2ceq.gif|left|200px]]<br /><applet load="2ceq" size="450" color="white" frame="true" align="right" spinBox="true"
 
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caption="2ceq, resolution 2.14&Aring;" />
 
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'''BETA-GLYCOSIDASE FROM SULFOLOBUS SOLFATARICUS IN COMPLEX WITH GLUCOIMIDAZOLE'''<br />
 
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==Overview==
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==Beta-glycosidase from Sulfolobus solfataricus in complex with glucoimidazole==
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Inhibition of glycosidases has great potential in the quest for highly, potent and specific drugs to treat diseases such as diabetes, cancer, and, viral infections. One of the most effective ways of designing such, compounds is by mimicking the transition state. Here we describe the, structural, kinetic, and thermodynamic dissection of binding of two, glucoimidazole-derived compounds, which are among the most potent, glycosidase inhibitors reported to date, with two family 1, beta-glycosidases. Provocatively, while inclusion of the phenethyl moiety, improves binding by a factor of 20-80-fold, this does not appear to result, from better noncovalent interactions with the enzyme; instead, improved, affinity may be derived from significantly better entropic contributions, to binding displayed by the phenethyl-substituted imidazole compound.
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<StructureSection load='2ceq' size='340' side='right'caption='[[2ceq]], [[Resolution|resolution]] 2.14&Aring;' scene=''>
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== Structural highlights ==
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<table><tr><td colspan='2'>[[2ceq]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Saccharolobus_solfataricus Saccharolobus solfataricus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2CEQ OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2CEQ 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]] 2.14&#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=ACT:ACETATE+ION'>ACT</scene>, <scene name='pdbligand=GIM:GLUCOIMIDAZOLE'>GIM</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=2ceq FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2ceq OCA], [https://pdbe.org/2ceq PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2ceq RCSB], [https://www.ebi.ac.uk/pdbsum/2ceq PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2ceq ProSAT]</span></td></tr>
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</table>
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== Function ==
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[https://www.uniprot.org/uniprot/BGAL_SACS2 BGAL_SACS2]
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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/ce/2ceq_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=2ceq 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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Inhibition of glycosidases has great potential in the quest for highly potent and specific drugs to treat diseases such as diabetes, cancer, and viral infections. One of the most effective ways of designing such compounds is by mimicking the transition state. Here we describe the structural, kinetic, and thermodynamic dissection of binding of two glucoimidazole-derived compounds, which are among the most potent glycosidase inhibitors reported to date, with two family 1 beta-glycosidases. Provocatively, while inclusion of the phenethyl moiety improves binding by a factor of 20-80-fold, this does not appear to result from better noncovalent interactions with the enzyme; instead, improved affinity may be derived from significantly better entropic contributions to binding displayed by the phenethyl-substituted imidazole compound.
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==About this Structure==
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Structural, kinetic, and thermodynamic analysis of glucoimidazole-derived glycosidase inhibitors.,Gloster TM, Roberts S, Perugino G, Rossi M, Moracci M, Panday N, Terinek M, Vasella A, Davies GJ Biochemistry. 2006 Oct 3;45(39):11879-84. PMID:17002288<ref>PMID:17002288</ref>
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2CEQ is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Sulfolobus_solfataricus Sulfolobus solfataricus] with ACT and GIM as [http://en.wikipedia.org/wiki/ligands ligands]. Active as [http://en.wikipedia.org/wiki/Beta-galactosidase Beta-galactosidase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.2.1.23 3.2.1.23] Known structural/functional Site: <scene name='pdbsite=AC1:Gim Binding Site For Chain A'>AC1</scene>. Full crystallographic information is available from [http://ispc.weizmann.ac.il/oca-bin/ocashort?id=2CEQ 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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Structural, kinetic, and thermodynamic analysis of glucoimidazole-derived glycosidase inhibitors., Gloster TM, Roberts S, Perugino G, Rossi M, Moracci M, Panday N, Terinek M, Vasella A, Davies GJ, Biochemistry. 2006 Oct 3;45(39):11879-84. PMID:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=17002288 17002288]
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</div>
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[[Category: Beta-galactosidase]]
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<div class="pdbe-citations 2ceq" style="background-color:#fffaf0;"></div>
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[[Category: Single protein]]
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[[Category: Sulfolobus solfataricus]]
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[[Category: Davies, G.J.]]
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[[Category: Gloster, T.M.]]
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[[Category: Moracci, M.]]
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[[Category: Vasella, A.]]
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[[Category: ACT]]
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[[Category: GIM]]
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[[Category: archaeon]]
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[[Category: family 1]]
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[[Category: glucoimidazole]]
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[[Category: glycosidase]]
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[[Category: glycoside hydrolase]]
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[[Category: hydrolase]]
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''Page seeded by [http://ispc.weizmann.ac.il/oca OCA ] on Tue Dec 18 19:19:28 2007''
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==See Also==
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*[[Galactosidase 3D structures|Galactosidase 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: Large Structures]]
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[[Category: Saccharolobus solfataricus]]
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[[Category: Davies GJ]]
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[[Category: Gloster TM]]
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[[Category: Moracci M]]
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[[Category: Vasella A]]

Current revision

Beta-glycosidase from Sulfolobus solfataricus in complex with glucoimidazole

PDB ID 2ceq

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