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==Structure of AaCel9A in complex with cellotetraose-like isofagomine==
==Structure of AaCel9A in complex with cellotetraose-like isofagomine==
<StructureSection load='3rx7' size='340' side='right' caption='[[3rx7]], [[Resolution|resolution]] 2.02&Aring;' scene=''>
<StructureSection load='3rx7' size='340' side='right'caption='[[3rx7]], [[Resolution|resolution]] 2.02&Aring;' scene=''>
== Structural highlights ==
== Structural highlights ==
<table><tr><td colspan='2'>[[3rx7]] is a 1 chain structure with sequence from [http://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=3RX7 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3RX7 FirstGlance]. <br>
<table><tr><td colspan='2'>[[3rx7]] 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=3RX7 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3RX7 FirstGlance]. <br>
</td></tr><tr><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=9MR:(3R,4R,5R)-3-HYDROXY-5-(HYDROXYMETHYL)PIPERIDIN-4-YL+BETA-D-GLUCOPYRANOSIDE'>9MR</scene>, <scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=G3I:(3R,4R,5R)-3-HYDROXY-5-(HYDROXYMETHYL)PIPERIDIN-4-YL+BETA-D-GLUCOPYRANOSYL-(1- 4)-BETA-D-GLUCOPYRANOSYL-(1- 4)-BETA-D-GLUCOPYRANOSIDE'>G3I</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene><br>
</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 2.02&#8491;</td></tr>
<tr><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[3gzk|3gzk]], [[3h2w|3h2w]], [[3h3k|3h3k]], [[3rx5|3rx5]], [[3rx8|3rx8]]</td></tr>
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=9MR:(3R,4R,5R)-3-HYDROXY-5-(HYDROXYMETHYL)PIPERIDIN-4-YL+BETA-D-GLUCOPYRANOSIDE'>9MR</scene>, <scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=G3I:(3R,4R,5R)-3-HYDROXY-5-(HYDROXYMETHYL)PIPERIDIN-4-YL+BETA-D-GLUCOPYRANOSYL-(1- 4)-BETA-D-GLUCOPYRANOSYL-(1- 4)-BETA-D-GLUCOPYRANOSIDE'>G3I</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene></td></tr>
<tr><td class="sblockLbl"><b>[[Gene|Gene:]]</b></td><td class="sblockDat">celA ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=1388 Alicyclobacillus acidocaldarius subsp. acidocaldarius])</td></tr>
<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=3rx7 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3rx7 OCA], [https://pdbe.org/3rx7 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3rx7 RCSB], [https://www.ebi.ac.uk/pdbsum/3rx7 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3rx7 ProSAT]</span></td></tr>
<tr><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[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] </span></td></tr>
</table>
<tr><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3rx7 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3rx7 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3rx7 RCSB], [http://www.ebi.ac.uk/pdbsum/3rx7 PDBsum]</span></td></tr>
== Function ==
<table>
[https://www.uniprot.org/uniprot/Q9AJS0_ALIAC Q9AJS0_ALIAC]
<div style="background-color:#fffaf0;">
== Publication Abstract from PubMed ==
Using structural insight, the binding mode of isofagomine-derived inhibitors with family GH9 glycosidases is achieved via the study of Alicyclobacillus acidocaldarius (AaCel9A) endoglucanase. In contrast to what was observed in the first report using these compounds with inverting glycosidases from family GH6, these inhibitors do not adopt a distorted conformation in the active site.
 
A potential fortuitous binding of inhibitors of an inverting family GH9 beta-glycosidase derived from isofagomine.,Morera S, Vigouroux A, Stubbs KA Org Biomol Chem. 2011 Sep 7;9(17):5945-7. Epub 2011 Jul 25. PMID:21785782<ref>PMID:21785782</ref>
 
From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
</div>
== References ==
<references/>
__TOC__
__TOC__
</StructureSection>
</StructureSection>
[[Category: Alicyclobacillus acidocaldarius subsp. acidocaldarius]]
[[Category: Alicyclobacillus acidocaldarius subsp. acidocaldarius]]
[[Category: Cellulase]]
[[Category: Large Structures]]
[[Category: Morera, S.]]
[[Category: Morera S]]
[[Category: Endoglucanase]]
[[Category: Gh9 family]]
[[Category: Hydrolase-hydrolase inhibitor complex]]

Latest revision as of 12:39, 14 March 2024

Structure of AaCel9A in complex with cellotetraose-like isofagomine

3rx7, resolution 2.02Å

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