3h2w

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{{Seed}}
 
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[[Image:3h2w.png|left|200px]]
 
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==Structure of A. acidocaldarius cellulase CelA in complex with cellobiose==
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The line below this paragraph, containing "STRUCTURE_3h2w", creates the "Structure Box" on the page.
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<StructureSection load='3h2w' size='340' side='right'caption='[[3h2w]], [[Resolution|resolution]] 2.66&Aring;' scene=''>
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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'>[[3h2w]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Alicyclobacillus_acidocaldarius_subsp._acidocaldarius Alicyclobacillus acidocaldarius subsp. acidocaldarius]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3H2W OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3H2W 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]] 2.66&#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=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=CO:COBALT+(II)+ION'>CO</scene>, <scene name='pdbligand=GLC:ALPHA-D-GLUCOSE'>GLC</scene>, <scene name='pdbligand=PRD_900023:alpha-cellobiose'>PRD_900023</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene></td></tr>
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{{STRUCTURE_3h2w| PDB=3h2w | 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=3h2w FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3h2w OCA], [https://pdbe.org/3h2w PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3h2w RCSB], [https://www.ebi.ac.uk/pdbsum/3h2w PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3h2w ProSAT]</span></td></tr>
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</table>
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== Function ==
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[https://www.uniprot.org/uniprot/Q9AJS0_ALIAC Q9AJS0_ALIAC]
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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/h2/3h2w_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=3h2w 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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Alicyclobacillus acidocaldarius endoglucanase Cel9A (AaCel9A) is an inverting glycoside hydrolase with beta-1,4-glucanase activity on soluble polymeric substrates. Here, we report three X-ray structures of AaCel9A: a ligand-free structure at 1.8 A resolution and two complexes at 2.66 and 2.1 A resolution, respectively, with cellobiose obtained by co-crystallization and with cellotetraose obtained by the soaking method. AaCel9A forms an (alpha/alpha)(6)-barrel like other glycoside hydrolase family 9 enzymes. When cellobiose is used as a ligand, three glucosyl binding subsites are occupied, including two on the glycone side, while with cellotetraose as a ligand, five subsites, including four on the glycone side, are occupied. A structural comparison showed no conformational rearrangement of AaCel9A upon ligand binding. The structural analysis demonstrates that of the four minus subsites identified, subsites -1 and -2 show the strongest interaction with bound glucose. In conjunction with the open active-site cleft of AaCel9A, this is able to reconcile the previously observed cleavage of short-chain oligosaccharides with cellobiose as main product with the endo mode of action on larger polysaccharides.
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===Structure of A. acidocaldarius cellulase CelA in complex with cellobiose===
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Crystal structures of A. acidocaldarius endoglucanase Cel9A in complex with cello-oligosaccharides: strong -1 and -2 subsites mimic cellobiohydrolase activity.,Eckert K, Vigouroux A, Lo Leggio L, Morera S J Mol Biol. 2009 Nov 20;394(1):61-70. Epub 2009 Aug 31. PMID:19729024<ref>PMID:19729024</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 3h2w" style="background-color:#fffaf0;"></div>
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(as it appears on PubMed at http://www.pubmed.gov), where 19729024 is the PubMed ID number.
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== References ==
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<references/>
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{{ABSTRACT_PUBMED_19729024}}
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__TOC__
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</StructureSection>
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==About this Structure==
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[[Category: Alicyclobacillus acidocaldarius subsp. acidocaldarius]]
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3H2W is a 1 chain structure of sequence from [http://en.wikipedia.org/wiki/Alicyclobacillus_acidocaldarius Alicyclobacillus acidocaldarius]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3H2W OCA].
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[[Category: Large Structures]]
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[[Category: Morera S]]
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==Reference==
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[[Category: Vigouroux A]]
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<ref group="xtra">PMID:19729024</ref><references group="xtra"/>
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[[Category: Alicyclobacillus acidocaldarius]]
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[[Category: Cellulase]]
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[[Category: Morera, S.]]
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[[Category: Vigouroux, A.]]
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[[Category: Fold from gh9 from cazy database]]
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[[Category: Glycosidase]]
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[[Category: Hydrolase]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Wed Nov 11 22:54:04 2009''
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Current revision

Structure of A. acidocaldarius cellulase CelA in complex with cellobiose

PDB ID 3h2w

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