4ayp

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Current revision (07:16, 1 May 2024) (edit) (undo)
 
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<StructureSection load='4ayp' size='340' side='right'caption='[[4ayp]], [[Resolution|resolution]] 0.85&Aring;' scene=''>
<StructureSection load='4ayp' size='340' side='right'caption='[[4ayp]], [[Resolution|resolution]] 0.85&Aring;' scene=''>
== Structural highlights ==
== Structural highlights ==
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<table><tr><td colspan='2'>[[4ayp]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4AYP OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4AYP FirstGlance]. <br>
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<table><tr><td colspan='2'>[[4ayp]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Caulobacter_sp._K31 Caulobacter sp. K31]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4AYP OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4AYP FirstGlance]. <br>
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</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=NA:SODIUM+ION'>NA</scene>, <scene name='pdbligand=MAN:ALPHA-D-MANNOSE'>MAN</scene></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]] 0.85&#8491;</td></tr>
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<tr id='NonStdRes'><td class="sblockLbl"><b>[[Non-Standard_Residue|NonStd Res:]]</b></td><td class="sblockDat"><scene name='pdbligand=Z5L:'>Z5L</scene></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=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=MAN:ALPHA-D-MANNOSE'>MAN</scene>, <scene name='pdbligand=NA:SODIUM+ION'>NA</scene>, <scene name='pdbligand=PRD_900033:methyl+2-S-alpha-D-mannopyranosyl-2-thio-alpha-D-mannopyranoside'>PRD_900033</scene>, <scene name='pdbligand=Z5L:methyl+2-thio-alpha-D-mannopyranoside'>Z5L</scene></td></tr>
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<tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat"><div style='overflow: auto; max-height: 3em;'>[[4ayo|4ayo]], [[4ayq|4ayq]], [[4ayr|4ayr]]</div></td></tr>
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<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[https://en.wikipedia.org/wiki/Mannosyl-oligosaccharide_1,2-alpha-mannosidase Mannosyl-oligosaccharide 1,2-alpha-mannosidase], with EC number [https://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.2.1.113 3.2.1.113] </span></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=4ayp FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4ayp OCA], [https://pdbe.org/4ayp PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4ayp RCSB], [https://www.ebi.ac.uk/pdbsum/4ayp PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4ayp ProSAT]</span></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=4ayp FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4ayp OCA], [https://pdbe.org/4ayp PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4ayp RCSB], [https://www.ebi.ac.uk/pdbsum/4ayp PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4ayp ProSAT]</span></td></tr>
</table>
</table>
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<div style="background-color:#fffaf0;">
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== Function ==
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== Publication Abstract from PubMed ==
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[https://www.uniprot.org/uniprot/B0SWV2_CAUSK B0SWV2_CAUSK]
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Mannosides in the southern hemisphere: Conformational analysis of enzymatic mannoside hydrolysis informs strategies for enzyme inhibition and inspires solutions to mannoside synthesis. Atomic resolution structures along the reaction coordinate of an inverting alpha-mannosidase show how the enzyme distorts the substrate and transition state. QM/MM calculations reveal how the free energy landscape of isolated alpha-D-mannose is molded on enzyme to only allow one conformationally accessible reaction coordinate.
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The reaction coordinate of a bacterial GH47 alpha-mannosidase: a combined quantum mechanical and structural approach.,Thompson AJ, Dabin J, Iglesias-Fernandez J, Ardevol A, Dinev Z, Williams SJ, Bande O, Siriwardena A, Moreland C, Hu TC, Smith DK, Gilbert HJ, Rovira C, Davies GJ Angew Chem Int Ed Engl. 2012 Oct 29;51(44):10997-1001. doi:, 10.1002/anie.201205338. Epub 2012 Sep 26. PMID:23012075<ref>PMID:23012075</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 4ayp" style="background-color:#fffaf0;"></div>
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==See Also==
==See Also==
*[[Mannosidase 3D structures|Mannosidase 3D structures]]
*[[Mannosidase 3D structures|Mannosidase 3D structures]]
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== References ==
 
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<references/>
 
__TOC__
__TOC__
</StructureSection>
</StructureSection>
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[[Category: Caulobacter sp. K31]]
[[Category: Large Structures]]
[[Category: Large Structures]]
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[[Category: Mannosyl-oligosaccharide 1,2-alpha-mannosidase]]
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[[Category: Dabin J]]
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[[Category: Dabin, J]]
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[[Category: Davies GJ]]
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[[Category: Davies, G J]]
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[[Category: Dinev Z]]
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[[Category: Dinev, Z]]
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[[Category: Gilbert HJ]]
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[[Category: Gilbert, H J]]
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[[Category: Hu TC]]
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[[Category: Hu, T C]]
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[[Category: Iglesias-Fernandez A]]
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[[Category: Iglesias-Fernandez, A]]
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[[Category: Iglesias-Fernandez J]]
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[[Category: Iglesias-Fernandez, J]]
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[[Category: Moreland C]]
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[[Category: Moreland, C]]
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[[Category: Rovira C]]
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[[Category: Rovira, C]]
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[[Category: Siriwardena A]]
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[[Category: Siriwardena, A]]
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[[Category: Smith DK]]
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[[Category: Smith, D K]]
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[[Category: Thompson AJ]]
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[[Category: Thompson, A J]]
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[[Category: Williams SJ]]
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[[Category: Williams, S J]]
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[[Category: Cazy]]
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[[Category: Enzyme-carbohydrate interaction]]
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[[Category: Gh47]]
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[[Category: Glycosidase inhibition]]
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[[Category: Glycoside hydrolase]]
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[[Category: Hydrolase]]
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[[Category: Mannose]]
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[[Category: Quantum mechanic]]
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Current revision

Structure of The GH47 processing alpha-1,2-mannosidase from Caulobacter strain K31 in complex with thiomannobioside

PDB ID 4ayp

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OCA

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