1ocn

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[[Image:1ocn.jpg|left|200px]]
 
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{{Structure
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==Mutant D416A of the CELLOBIOHYDROLASE CEL6A FROM HUMICOLA INSOLENS in complex with a cellobio-derived isofagomine at 1.3 angstrom resolution==
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|PDB= 1ocn |SIZE=350|CAPTION= <scene name='initialview01'>1ocn</scene>, resolution 1.31&Aring;
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<StructureSection load='1ocn' size='340' side='right'caption='[[1ocn]], [[Resolution|resolution]] 1.31&Aring;' scene=''>
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|SITE= <scene name='pdbsite=ACI:Ca+Binding+Site+For+Chain+A'>ACI</scene>
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== Structural highlights ==
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|LIGAND= <scene name='pdbligand=BGC:BETA-D-GLUCOSE'>BGC</scene>, <scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=IFM:5-HYDROXYMETHYL-3,4-DIHYDROXYPIPERIDINE'>IFM</scene>, <scene name='pdbligand=NAG:N-ACETYL-D-GLUCOSAMINE'>NAG</scene>
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<table><tr><td colspan='2'>[[1ocn]] is a 1 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=1OCN OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1OCN FirstGlance]. <br>
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|ACTIVITY= <span class='plainlinks'>[http://en.wikipedia.org/wiki/Cellulose_1,4-beta-cellobiosidase Cellulose 1,4-beta-cellobiosidase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.2.1.91 3.2.1.91] </span>
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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]] 1.31&#8491;</td></tr>
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|GENE=
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<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=BGC:BETA-D-GLUCOSE'>BGC</scene>, <scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=IFM:5-HYDROXYMETHYL-3,4-DIHYDROXYPIPERIDINE'>IFM</scene>, <scene name='pdbligand=NAG:N-ACETYL-D-GLUCOSAMINE'>NAG</scene></td></tr>
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|DOMAIN=
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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=1ocn FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1ocn OCA], [https://pdbe.org/1ocn PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1ocn RCSB], [https://www.ebi.ac.uk/pdbsum/1ocn PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1ocn ProSAT]</span></td></tr>
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|RELATEDENTRY=
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</table>
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|RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1ocn FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1ocn OCA], [http://www.ebi.ac.uk/pdbsum/1ocn PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=1ocn RCSB]</span>
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== Function ==
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}}
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[https://www.uniprot.org/uniprot/GUX6_HUMIN GUX6_HUMIN] Plays a central role in the recycling of plant biomass. 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.<ref>PMID:9882628</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/oc/1ocn_consurf.spt"</scriptWhenChecked>
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<scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview03.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=1ocn 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 cellobio-derived isofagomine glycosidase inhibitor (Ki approximately 400 nM) displays an unusual distorted 2,5B (boat) conformation upon binding to cellobiohydrolase Cel6A from Humicola insolens, highlighting the different conformational itineraries used by various glycosidases, with consequences for the design of therapeutic agents.
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'''MUTANT D416A OF THE CELLOBIOHYDROLASE CEL6A FROM HUMICOLA INSOLENS IN COMPLEX WITH A CELLOBIO-DERIVED ISOFAGOMINE AT 1.3 ANGSTROM RESOLUTION'''
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Distortion of a cellobio-derived isofagomine highlights the potential conformational itinerary of inverting beta-glucosidases.,Varrot A, Macdonald J, Stick RV, Pell G, Gilbert HJ, Davies GJ Chem Commun (Camb). 2003 Apr 21;(8):946-7. PMID:12744312<ref>PMID:12744312</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 1ocn" style="background-color:#fffaf0;"></div>
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==Overview==
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==See Also==
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A cellobio-derived isofagomine glycosidase inhibitor (Ki approximately 400 nM) displays an unusual distorted 2,5B (boat) conformation upon binding to cellobiohydrolase Cel6A from Humicola insolens, highlighting the different conformational itineraries used by various glycosidases, with consequences for the design of therapeutic agents.
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*[[Cellobiohydrolase 3D structures|Cellobiohydrolase 3D structures]]
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== References ==
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==About this Structure==
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<references/>
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1OCN is a [[Single protein]] structure of sequence from [http://en.wikipedia.org/wiki/Humicola_insolens Humicola insolens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1OCN OCA].
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__TOC__
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</StructureSection>
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==Reference==
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Distortion of a cellobio-derived isofagomine highlights the potential conformational itinerary of inverting beta-glucosidases., Varrot A, Macdonald J, Stick RV, Pell G, Gilbert HJ, Davies GJ, Chem Commun (Camb). 2003 Apr 21;(8):946-7. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/12744312 12744312]
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[[Category: Cellulose 1,4-beta-cellobiosidase]]
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[[Category: Humicola insolens]]
[[Category: Humicola insolens]]
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[[Category: Single protein]]
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[[Category: Large Structures]]
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[[Category: Davies, G J.]]
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[[Category: Davies GJ]]
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[[Category: Gilbert, H J.]]
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[[Category: Gilbert HJ]]
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[[Category: Macdonald, J.]]
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[[Category: Macdonald J]]
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[[Category: Pell, G.]]
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[[Category: Pell G]]
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[[Category: Stick, R V.]]
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[[Category: Stick RV]]
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[[Category: Varrot, A.]]
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[[Category: Varrot A]]
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[[Category: cellobiohydrolase]]
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[[Category: cellulase]]
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[[Category: cellulose degradation]]
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[[Category: glycoside hydrolase family 6]]
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[[Category: hydrolase]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun Mar 30 22:43:19 2008''
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Current revision

Mutant D416A of the CELLOBIOHYDROLASE CEL6A FROM HUMICOLA INSOLENS in complex with a cellobio-derived isofagomine at 1.3 angstrom resolution

PDB ID 1ocn

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OCA

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