6yoz

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==HiCel7B labelled with b-1,4-glucosyl cyclophellitol==
==HiCel7B labelled with b-1,4-glucosyl cyclophellitol==
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<StructureSection load='6yoz' size='340' side='right'caption='[[6yoz]]' scene=''>
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<StructureSection load='6yoz' size='340' side='right'caption='[[6yoz]], [[Resolution|resolution]] 1.88&Aring;' scene=''>
== Structural highlights ==
== Structural highlights ==
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<table><tr><td colspan='2'>Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6YOZ OCA]. For a <b>guided tour on the structure components</b> use [http://proteopedia.org/fgij/fg.htm?mol=6YOZ FirstGlance]. <br>
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<table><tr><td colspan='2'>[[6yoz]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Humicola_insolens Humicola insolens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6YOZ OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=6YOZ FirstGlance]. <br>
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</td></tr><tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://proteopedia.org/fgij/fg.htm?mol=6yoz FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6yoz OCA], [http://pdbe.org/6yoz PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6yoz RCSB], [http://www.ebi.ac.uk/pdbsum/6yoz PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6yoz ProSAT]</span></td></tr>
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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]] 1.88&#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=ACM:ACETAMIDE'>ACM</scene>, <scene name='pdbligand=BGC:BETA-D-GLUCOSE'>BGC</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=NAG:N-ACETYL-D-GLUCOSAMINE'>NAG</scene>, <scene name='pdbligand=PCA:PYROGLUTAMIC+ACID'>PCA</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene>, <scene name='pdbligand=YLL:(1R,2S,3S,4S,5R,6R)-6-(HYDROXYMETHYL)CYCLOHEXANE-1,2,3,4,5-PENTOL'>YLL</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=6yoz FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6yoz OCA], [https://pdbe.org/6yoz PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=6yoz RCSB], [https://www.ebi.ac.uk/pdbsum/6yoz PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=6yoz ProSAT]</span></td></tr>
</table>
</table>
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== Function ==
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[https://www.uniprot.org/uniprot/GUN1_HUMIN GUN1_HUMIN] The biological conversion of cellulose to glucose generally requires three types of hydrolytic enzymes: (1) Endoglucanases which cut internal beta-1,4-glucosidic bonds; (2) Exocellobiohydrolases that cut the dissaccharide cellobiose from the non-reducing end of the cellulose polymer chain; (3) Beta-1,4-glucosidases which hydrolyze the cellobiose and other short cello-oligosaccharides to glucose.
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<div style="background-color:#fffaf0;">
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== Publication Abstract from PubMed ==
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Cellulases and related beta-1,4-glucanases are essential components of lignocellulose-degrading enzyme mixtures. The detection of beta-1,4-glucanase activity typically relies on monitoring the breakdown of purified lignocellulose-derived substrates or synthetic chromogenic substrates, limiting the activities which can be detected and complicating the tracing of activity back to specific components within complex enzyme mixtures. As a tool for the rapid detection and identification of beta-1,4-glucanases, a series of glycosylated cyclophellitol inhibitors mimicking beta-1,4-glucan oligosaccharides have been synthesised. These compounds are highly efficient inhibitors of HiCel7B, a well-known GH7 endo-beta-1,4-glucanase. An elaborated activity-based probe facilitated the direct detection and identification of beta-1,4-glucanases within a complex fungal secretome without any detectable cross-reactivity with beta-d-glucosidases. These probes and inhibitors add valuable new capacity to the growing toolbox of cyclophellitol-derived probes for the activity-based profiling of biomass-degrading enzymes.
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Glycosylated cyclophellitol-derived activity-based probes and inhibitors for cellulases.,de Boer C, McGregor NGS, Peterse E, Schroder SP, Florea BI, Jiang J, Reijngoud J, Ram AFJ, van Wezel GP, van der Marel GA, Codee JDC, Overkleeft HS, Davies GJ RSC Chem Biol. 2020 Jul 28;1(3):148-155. doi: 10.1039/d0cb00045k. eCollection, 2020 Aug 1. PMID:34458755<ref>PMID:34458755</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 6yoz" style="background-color:#fffaf0;"></div>
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== References ==
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<references/>
__TOC__
__TOC__
</StructureSection>
</StructureSection>
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[[Category: Humicola insolens]]
[[Category: Large Structures]]
[[Category: Large Structures]]
[[Category: Davies GJ]]
[[Category: Davies GJ]]
[[Category: McGregor NGS]]
[[Category: McGregor NGS]]

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HiCel7B labelled with b-1,4-glucosyl cyclophellitol

PDB ID 6yoz

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