5ost: Difference between revisions
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New page: '''Unreleased structure''' The entry 5ost is ON HOLD until Paper Publication Authors: Description: Category: Unreleased Structures |
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==Beta-glucosidase from Thermoanaerobacterium xylolyticum GH116 in complex with Gluco-1H-imidazole== | |||
<StructureSection load='5ost' size='340' side='right'caption='[[5ost]], [[Resolution|resolution]] 2.10Å' scene=''> | |||
== Structural highlights == | |||
<table><tr><td colspan='2'>[[5ost]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Thermoanaerobacterium_xylanolyticum_LX-11 Thermoanaerobacterium xylanolyticum LX-11]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5OST OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=5OST FirstGlance]. <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]] 2.1Å</td></tr> | |||
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=AEZ:(4~{S},5~{S},6~{R},7~{R})-7-(hydroxymethyl)-4,5,6,7-tetrahydro-1~{H}-benzimidazole-4,5,6-triol'>AEZ</scene>, <scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</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=5ost FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5ost OCA], [https://pdbe.org/5ost PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=5ost RCSB], [https://www.ebi.ac.uk/pdbsum/5ost PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=5ost ProSAT]</span></td></tr> | |||
</table> | |||
== Function == | |||
[https://www.uniprot.org/uniprot/F6BL85_THEXL F6BL85_THEXL] | |||
<div style="background-color:#fffaf0;"> | |||
== Publication Abstract from PubMed == | |||
Gluco-azoles competitively inhibit glucosidases by transition-state mimicry and their ability to interact with catalytic acid residues in glucosidase active sites. We noted that no azole-type inhibitors described, to date, possess a protic nitrogen characteristic for 1 H-imidazoles. Here, we present gluco-1 H-imidazole, a gluco-azole bearing a 1 H-imidazole fused to a glucopyranose-configured cyclitol core, and three close analogues as new glucosidase inhibitors. All compounds inhibit human retaining beta-glucosidase, GBA1, with the most potent ones inhibiting this enzyme (deficient in Gaucher disease) on a par with glucoimidazole. None inhibit glucosylceramide synthase, cytosolic beta-glucosidase GBA2 or alpha-glucosidase GAA. Structural, physical and computational studies provide first insights into the binding mode of this conceptually new class of retaining beta-glucosidase inhibitors. | |||
Gluco-1 H-imidazole: A New Class of Azole-Type beta-Glucosidase Inhibitor.,Schroder SP, Wu L, Artola M, Hansen T, Offen WA, Ferraz MJ, Li KY, Aerts JMFG, van der Marel GA, Codee JDC, Davies GJ, Overkleeft HS J Am Chem Soc. 2018 Apr 4. doi: 10.1021/jacs.8b02399. PMID:29601200<ref>PMID:29601200</ref> | |||
From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | |||
[[Category: | </div> | ||
<div class="pdbe-citations 5ost" style="background-color:#fffaf0;"></div> | |||
== References == | |||
<references/> | |||
__TOC__ | |||
</StructureSection> | |||
[[Category: Large Structures]] | |||
[[Category: Thermoanaerobacterium xylanolyticum LX-11]] | |||
[[Category: Davies GJ]] | |||
[[Category: Offen WA]] | |||
Latest revision as of 12:59, 20 December 2023
Beta-glucosidase from Thermoanaerobacterium xylolyticum GH116 in complex with Gluco-1H-imidazole
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