1kwf

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[[Image:1kwf.jpg|left|200px]]<br /><applet load="1kwf" size="350" color="white" frame="true" align="right" spinBox="true"
 
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caption="1kwf, resolution 0.94&Aring;" />
 
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'''Atomic Resolution Structure of an Inverting Glycosidase in Complex with Substrate'''<br />
 
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==Overview==
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==Atomic Resolution Structure of an Inverting Glycosidase in Complex with Substrate==
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The crystal structure of Clostridium thermocellum endoglucanase CelA in complex with cellopentaose has been determined at 0.94 A resolution. The oligosaccharide occupies six D-glucosyl-binding subsites, three on either side of the scissile glycosidic linkage. The substrate and product of the reaction occupy different positions at the reducing end of the cleft, where an extended array of hydrogen-bonding interactions with water molecules fosters the departure of the leaving group. Severe torsional strain upon the bound substrate forces a distorted boat(2,5) B conformation for the glucosyl residue bound at subsite -1, which facilitates the formation of an oxocarbenium ion intermediate and might favor the breakage of the sugar ring concomitant with catalysis.
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<StructureSection load='1kwf' size='340' side='right'caption='[[1kwf]], [[Resolution|resolution]] 0.94&Aring;' scene=''>
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== Structural highlights ==
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<table><tr><td colspan='2'>[[1kwf]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Acetivibrio_thermocellus Acetivibrio thermocellus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1KWF OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1KWF 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]] 0.94&#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=BGC:BETA-D-GLUCOSE'>BGC</scene>, <scene name='pdbligand=PRD_900016:beta-cellopentaose'>PRD_900016</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=1kwf FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1kwf OCA], [https://pdbe.org/1kwf PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1kwf RCSB], [https://www.ebi.ac.uk/pdbsum/1kwf PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1kwf ProSAT]</span></td></tr>
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</table>
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== Function ==
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[https://www.uniprot.org/uniprot/GUNA_ACET2 GUNA_ACET2] This enzyme catalyzes the endohydrolysis of 1,4-beta-glucosidic linkages in cellulose, lichenin and cereal beta-D-glucans.
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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/kw/1kwf_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=1kwf ConSurf].
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<div style="clear:both"></div>
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==About this Structure==
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==See Also==
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1KWF is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Clostridium_thermocellum Clostridium thermocellum]. Active as [http://en.wikipedia.org/wiki/Cellulase Cellulase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.2.1.4 3.2.1.4] Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1KWF OCA].
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*[[Glucanase 3D structures|Glucanase 3D structures]]
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__TOC__
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==Reference==
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</StructureSection>
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Atomic (0.94 A) resolution structure of an inverting glycosidase in complex with substrate., Guerin DM, Lascombe MB, Costabel M, Souchon H, Lamzin V, Beguin P, Alzari PM, J Mol Biol. 2002 Mar 8;316(5):1061-9. PMID:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=11884144 11884144]
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[[Category: Acetivibrio thermocellus]]
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[[Category: Cellulase]]
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[[Category: Large Structures]]
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[[Category: Clostridium thermocellum]]
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[[Category: Alzari PM]]
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[[Category: Single protein]]
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[[Category: Beguin P]]
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[[Category: Alzari, P M.]]
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[[Category: Costabel M]]
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[[Category: Beguin, P.]]
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[[Category: Guerin DMA]]
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[[Category: Costabel, M.]]
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[[Category: Lamzin V]]
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[[Category: Guerin, D M.A.]]
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[[Category: Lascombe M-B]]
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[[Category: Lamzin, V.]]
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[[Category: Souchon H]]
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[[Category: Lascombe, M B.]]
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[[Category: Souchon, H.]]
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[[Category: atomic resolution]]
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[[Category: cellulase]]
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[[Category: hydrolase]]
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[[Category: inverting glycosidase]]
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[[Category: protein-carbohydrate interactions]]
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[[Category: reaction mechanism]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Feb 21 13:38:39 2008''
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Current revision

Atomic Resolution Structure of an Inverting Glycosidase in Complex with Substrate

PDB ID 1kwf

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