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7fe1
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==Crystal structure of GH92 alpha-1,2-mannosidase from Enterococcus faecalis ATCC 10100 in complex with methyl alpha-1,2-C-mannobioside== | ==Crystal structure of GH92 alpha-1,2-mannosidase from Enterococcus faecalis ATCC 10100 in complex with methyl alpha-1,2-C-mannobioside== | ||
| - | <StructureSection load='7fe1' size='340' side='right'caption='[[7fe1]]' scene=''> | + | <StructureSection load='7fe1' size='340' side='right'caption='[[7fe1]], [[Resolution|resolution]] 1.72Å' scene=''> |
== Structural highlights == | == Structural highlights == | ||
| - | <table><tr><td colspan='2'>Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=7FE1 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7FE1 FirstGlance]. <br> | + | <table><tr><td colspan='2'>[[7fe1]] is a 4 chain structure with sequence from [https://en.wikipedia.org/wiki/Enterococcus_faecalis_ATCC_10100 Enterococcus faecalis ATCC 10100]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=7FE1 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7FE1 FirstGlance]. <br> |
| - | </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=7fe1 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7fe1 OCA], [https://pdbe.org/7fe1 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7fe1 RCSB], [https://www.ebi.ac.uk/pdbsum/7fe1 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7fe1 ProSAT]</span></td></tr> | + | </td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 1.72Å</td></tr> |
| + | <tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=5II:methyl+2-deoxy-2-methyl-alpha-D-mannopyranoside'>5II</scene>, <scene name='pdbligand=ACY:ACETIC+ACID'>ACY</scene>, <scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=MAN:ALPHA-D-MANNOSE'>MAN</scene>, <scene name='pdbligand=NA:SODIUM+ION'>NA</scene></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=7fe1 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7fe1 OCA], [https://pdbe.org/7fe1 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7fe1 RCSB], [https://www.ebi.ac.uk/pdbsum/7fe1 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7fe1 ProSAT]</span></td></tr> | ||
</table> | </table> | ||
| + | == Function == | ||
| + | [https://www.uniprot.org/uniprot/Q832K9_ENTFA Q832K9_ENTFA] | ||
| + | <div style="background-color:#fffaf0;"> | ||
| + | == Publication Abstract from PubMed == | ||
| + | The conformational changes in a sugar moiety along the hydrolytic pathway are key to understand the mechanism of glycoside hydrolases (GHs) and to design new inhibitors. The two predominant itineraries for mannosidases go via OS2 --> B2,5 --> 1S5 and 3S1 --> 3H4 --> 1C4. For the CAZy family 92, the conformational itinerary was unknown. Published complexes of Bacteroides thetaiotaomicron GH92 catalyst with a S-glycoside and mannoimidazole indicate a 4C1 --> 4H5/1S5 --> 1S5 mechanism. However, as observed with the GH125 family, S-glycosides may not act always as good mimics of GH's natural substrate. Here we present a cooperative study between computations and experiments where our results predict the E5 --> B2,5/1S5 --> 1S5 pathway for GH92 enzymes. Furthermore, we demonstrate the Michaelis complex mimicry of a new kind of C-disaccharides, whose biochemical applicability was still a chimera. | ||
| + | |||
| + | Unlocking the hydrolytic mechanism of GH92 alpha-1,2-mannosidases: computation inspires using C-glycosides as Michaelis complex mimics.,Alonso-Gil S, Parkan K, Kaminsky J, Pohl R, Miyazaki T Chemistry. 2022 Jan 20. doi: 10.1002/chem.202200148. PMID:35049087<ref>PMID:35049087</ref> | ||
| + | |||
| + | From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | ||
| + | </div> | ||
| + | <div class="pdbe-citations 7fe1" style="background-color:#fffaf0;"></div> | ||
| + | == References == | ||
| + | <references/> | ||
__TOC__ | __TOC__ | ||
</StructureSection> | </StructureSection> | ||
| + | [[Category: Enterococcus faecalis ATCC 10100]] | ||
[[Category: Large Structures]] | [[Category: Large Structures]] | ||
[[Category: Alonso-Gil S]] | [[Category: Alonso-Gil S]] | ||
[[Category: Miyazaki T]] | [[Category: Miyazaki T]] | ||
Current revision
Crystal structure of GH92 alpha-1,2-mannosidase from Enterococcus faecalis ATCC 10100 in complex with methyl alpha-1,2-C-mannobioside
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