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1e5j

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{{Seed}}
 
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[[Image:1e5j.png|left|200px]]
 
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==ENDOGLUCANASE CEL5A FROM BACILLUS AGARADHAERENS IN THE TETRAGONAL CRYSTAL FORM IN COMPLEX WITH METHYL-4II-S-ALPHA-CELLOBIOSYL-4II-THIO-BETA-CELLOBIOSIDE==
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The line below this paragraph, containing "STRUCTURE_1e5j", creates the "Structure Box" on the page.
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<StructureSection load='1e5j' size='340' side='right'caption='[[1e5j]], [[Resolution|resolution]] 1.85&Aring;' scene=''>
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You may change the PDB parameter (which sets the PDB file loaded into the applet)
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== Structural highlights ==
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or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
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<table><tr><td colspan='2'>[[1e5j]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Salipaludibacillus_agaradhaerens Salipaludibacillus agaradhaerens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1E5J OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1E5J FirstGlance]. <br>
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or leave the SCENE parameter empty for the default display.
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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]] 1.85&#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=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=GLC:ALPHA-D-GLUCOSE'>GLC</scene>, <scene name='pdbligand=MGL:O1-METHYL-GLUCOSE'>MGL</scene>, <scene name='pdbligand=SGC:4-DEOXY-4-THIO-BETA-D-GLUCOPYRANOSE'>SGC</scene></td></tr>
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{{STRUCTURE_1e5j| PDB=1e5j | SCENE= }}
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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=1e5j FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1e5j OCA], [https://pdbe.org/1e5j PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1e5j RCSB], [https://www.ebi.ac.uk/pdbsum/1e5j PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1e5j ProSAT]</span></td></tr>
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</table>
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== Function ==
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[https://www.uniprot.org/uniprot/GUN5_SALAG GUN5_SALAG]
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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/e5/1e5j_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=1e5j 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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A new class of inhibitors for beta-D-glycoside hydrolases, in which a single alpha-(1--&gt;4)-glycosidic bond is incorporated into an otherwise all-beta-(1--&gt;4)-linked oligosaccharide, is described. Such mixed beta/alpha-linkage cellooligosaccharides are not transition-state mimics, but instead are capable of utilising binding energy from numerous subsites, spanning either side of the catalytic centre, without the need for substrate distortion. This binding is significant; a mixed alpha/beta-D-tetrasaccharide acts competitively on a number of cellulases, displaying inhibition constants in the range of 40-300 microM. Using the Bacillus agaradhaerens enzyme Cel5A as a model system, one such mixed beta/alpha-cellooligosaccharide, methyl 4(II),4(III)-dithio-alpha-cellobiosyl-(1--&gt;4)-beta-cellobioside, displays a K(i) value of 100 microM, an inhibition at least 150 times better than is observed with an equivalent all-beta-linked compound. The three-dimensional structure of B. agaradhaerens Cel5A in complex with methyl 4(II),4(III)-dithio-alpha-cellobiosyl-(1--&gt;4)-beta-cellobioside has been determined at 1.8 A resolution. This confirms the expected mode of binding in which the ligand, with all four pyranosides in the (4)C(1) chair conformation, occupies the -3, -2 and +1 subsites whilst evading the catalytic (-1) subsite. Such "by-pass" compounds offer great scope for the development of a new class of beta-D-glycoside hydrolase inhibitors.
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===ENDOGLUCANASE CEL5A FROM BACILLUS AGARADHAERENS IN THE TETRAGONAL CRYSTAL FORM IN COMPLEX WITH METHYL-4II-S-ALPHA-CELLOBIOSYL-4II-THIO BETA-CELLOBIOSIDE===
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Mixed-linkage cellooligosaccharides: a new class of glycoside hydrolase inhibitors.,Fort S, Varrot A, Schulein M, Cottaz S, Driguez H, Davies GJ Chembiochem. 2001 May 4;2(5):319-25. PMID:11828460<ref>PMID:11828460</ref>
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From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
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</div>
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<div class="pdbe-citations 1e5j" style="background-color:#fffaf0;"></div>
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==See Also==
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The line below this paragraph, {{ABSTRACT_PUBMED_11828460}}, adds the Publication Abstract to the page
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*[[Glucanase 3D structures|Glucanase 3D structures]]
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(as it appears on PubMed at http://www.pubmed.gov), where 11828460 is the PubMed ID number.
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== References ==
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-->
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<references/>
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{{ABSTRACT_PUBMED_11828460}}
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__TOC__
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</StructureSection>
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==About this Structure==
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[[Category: Large Structures]]
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1E5J is a [[Single protein]] structure of sequence from [http://en.wikipedia.org/wiki/Bacillus_agaradhaerens Bacillus agaradhaerens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1E5J OCA].
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[[Category: Salipaludibacillus agaradhaerens]]
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[[Category: Cottaz S]]
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==Reference==
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[[Category: Davies GJ]]
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Mixed-linkage cellooligosaccharides: a new class of glycoside hydrolase inhibitors., Fort S, Varrot A, Schulein M, Cottaz S, Driguez H, Davies GJ, Chembiochem. 2001 May 4;2(5):319-25. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/11828460 11828460]
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[[Category: Driguez H]]
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[[Category: Bacillus agaradhaerens]]
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[[Category: Fort S]]
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[[Category: Cellulase]]
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[[Category: Schulein M]]
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[[Category: Single protein]]
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[[Category: Varrot A]]
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[[Category: Cottaz, S.]]
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[[Category: Davies, G J.]]
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[[Category: Driguez, H.]]
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[[Category: Fort, S.]]
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[[Category: Schulein, M.]]
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[[Category: Varrot, A.]]
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[[Category: Cellulose degradation]]
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[[Category: Endoglucanase]]
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[[Category: Glycoshydrolase family 5]]
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[[Category: Hydrolase]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Tue Jul 1 00:10:58 2008''
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Current revision

ENDOGLUCANASE CEL5A FROM BACILLUS AGARADHAERENS IN THE TETRAGONAL CRYSTAL FORM IN COMPLEX WITH METHYL-4II-S-ALPHA-CELLOBIOSYL-4II-THIO-BETA-CELLOBIOSIDE

PDB ID 1e5j

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