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==Structure of GH84 with ligand== | ==Structure of GH84 with ligand== | ||
<StructureSection load='5abf' size='340' side='right' caption='[[5abf]], [[Resolution|resolution]] 2.10Å' scene=''> | <StructureSection load='5abf' size='340' side='right'caption='[[5abf]], [[Resolution|resolution]] 2.10Å' scene=''> | ||
== Structural highlights == | == Structural highlights == | ||
<table><tr><td colspan='2'>[[5abf]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5ABF OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5ABF FirstGlance]. <br> | <table><tr><td colspan='2'>[[5abf]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/"bacillus_thetaiotaomicron"_distaso_1912 "bacillus thetaiotaomicron" distaso 1912]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5ABF OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5ABF FirstGlance]. <br> | ||
</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=XRJ:2-[(2S,3R,4R,5R)-5-(HYDROXYMETHYL)-3,4-BIS(OXIDANYL)-1-PENTYL-PYRROLIDIN-2-YL]-N-METHYL-ETHANAMIDE'>XRJ</scene></td></tr> | </td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=XRJ:2-[(2S,3R,4R,5R)-5-(HYDROXYMETHYL)-3,4-BIS(OXIDANYL)-1-PENTYL-PYRROLIDIN-2-YL]-N-METHYL-ETHANAMIDE'>XRJ</scene></td></tr> | ||
<tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[5abe|5abe]], [[5abg|5abg]], [[5abh|5abh]]</td></tr> | <tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[5abe|5abe]], [[5abg|5abg]], [[5abh|5abh]]</td></tr> | ||
<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Protein_O-GlcNAcase Protein O-GlcNAcase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.2.1.169 3.2.1.169] </span></td></tr> | <tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Protein_O-GlcNAcase Protein O-GlcNAcase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.2.1.169 3.2.1.169] </span></td></tr> | ||
<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5abf FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5abf OCA], [http://pdbe.org/5abf PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5abf RCSB], [http://www.ebi.ac.uk/pdbsum/5abf PDBsum]</span></td></tr> | <tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5abf FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5abf OCA], [http://pdbe.org/5abf PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5abf RCSB], [http://www.ebi.ac.uk/pdbsum/5abf PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5abf ProSAT]</span></td></tr> | ||
</table> | </table> | ||
== Function == | == Function == | ||
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__TOC__ | __TOC__ | ||
</StructureSection> | </StructureSection> | ||
[[Category: Bacillus thetaiotaomicron distaso 1912]] | |||
[[Category: Large Structures]] | |||
[[Category: Protein O-GlcNAcase]] | [[Category: Protein O-GlcNAcase]] | ||
[[Category: Bergeron-Brlek, M]] | [[Category: Bergeron-Brlek, M]] | ||
Revision as of 10:10, 3 July 2019
Structure of GH84 with ligandStructure of GH84 with ligand
Structural highlights
Function[OGA_BACTN] Biological function unknown. Capable of hydrolyzing the glycosidic link of O-GlcNAcylated proteins. Publication Abstract from PubMedPyrrolidine-based iminocyclitols are a promising class of glycosidase inhibitors. Reported herein is a convenient epimerization strategy that provides direct access to a range of stereoisomeric iminocyclitol inhibitors of O-GlcNAcase (OGA), the enzyme responsible for catalyzing removal of O-GlcNAc from nucleocytoplasmic proteins. Structural details regarding the binding of these inhibitors to a bacterial homologue of OGA reveal the basis for potency. These compounds are orally available and permeate into rodent brain to increase O-GlcNAc, and should prove useful tools for studying the role of OGA in health and disease. A Convenient Approach to Stereoisomeric Iminocyclitols: Generation of Potent Brain-Permeable OGA Inhibitors.,Bergeron-Brlek M, Goodwin-Tindall J, Cekic N, Roth C, Zandberg WF, Shan X, Varghese V, Chan S, Davies GJ, Vocadlo DJ, Britton R Angew Chem Int Ed Engl. 2015 Nov 6. doi: 10.1002/anie.201507985. PMID:26545827[1] From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine. References
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