8r06: Difference between revisions

From Proteopedia
Jump to navigationJump to search
← Older edit
OCA (talk | contribs)
Bots, Bureaucrats, journal, Administrators
3,331,613 edits
No edit summary
OCA (talk | contribs)
Bots, Bureaucrats, journal, Administrators
3,331,613 edits
No edit summary
 
Line 1: Line 1:
'''Unreleased structure'''


The entry 8r06 is ON HOLD
==CRYSTAL STRUCTURE OF THERMOANAEROBACTERIUM XYLANOLYTICUM GH116 BETA-GLUCOSIDASE WITH A COVALENTLY BOUND CYCLOPHELLITOL AZIRIDINE==
<StructureSection load='8r06' size='340' side='right'caption='[[8r06]], [[Resolution|resolution]] 1.70&Aring;' scene=''>
== Structural highlights ==
<table><tr><td colspan='2'>[[8r06]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Thermoanaerobacterium_xylanolyticum_LX-11 Thermoanaerobacterium xylanolyticum LX-11]. This structure supersedes the now removed PDB entry [http://oca.weizmann.ac.il/oca-bin/send-pdb?obs=1&id=5ncx 5ncx]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=8R06 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=8R06 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]] 1.7&#8491;</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=CL:CHLORIDE+ION'>CL</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=PO8:(1~{R},2~{S},3~{S},4~{S},5~{R},6~{R})-5-azanyl-6-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol'>PO8</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=8r06 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=8r06 OCA], [https://pdbe.org/8r06 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=8r06 RCSB], [https://www.ebi.ac.uk/pdbsum/8r06 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=8r06 ProSAT]</span></td></tr>
</table>
== Function ==
[https://www.uniprot.org/uniprot/F6BL85_THEXL F6BL85_THEXL]
<div style="background-color:#fffaf0;">
== Publication Abstract from PubMed ==
Human nonlysosomal glucosylceramidase (GBA2) is one of several enzymes that controls levels of glycolipids and whose activity is linked to several human disease states. There is a major need to design or discover selective GBA2 inhibitors both as chemical tools and as potential therapeutic agents. Here, we describe the development of a fluorescence polarization activity-based protein profiling (FluoPol-ABPP) assay for the rapid identification, from a 350+ library of iminosugars, of GBA2 inhibitors. A focused library is generated based on leads from the FluoPol-ABPP screen and assessed on GBA2 selectivity offset against the other glucosylceramide metabolizing enzymes, glucosylceramide synthase (GCS), lysosomal glucosylceramidase (GBA), and the cytosolic retaining beta-glucosidase, GBA3. Our work, yielding potent and selective GBA2 inhibitors, also provides a roadmap for the development of high-throughput assays for identifying retaining glycosidase inhibitors by FluoPol-ABPP on cell extracts containing recombinant, overexpressed glycosidase as the easily accessible enzyme source.


Authors: Offen, W.A., Davies, G.J., Breen, I.Z.
A Fluorescence Polarization Activity-Based Protein Profiling Assay in the Discovery of Potent, Selective Inhibitors for Human Nonlysosomal Glucosylceramidase.,Lahav D, Liu B, van den Berg RJBHN, van den Nieuwendijk AMCH, Wennekes T, Ghisaidoobe AT, Breen I, Ferraz MJ, Kuo CL, Wu L, Geurink PP, Ovaa H, van der Marel GA, van der Stelt M, Boot RG, Davies GJ, Aerts JMFG, Overkleeft HS J Am Chem Soc. 2017 Sep 29. doi: 10.1021/jacs.7b07352. PMID:28937220<ref>PMID:28937220</ref>


Description: CRYSTAL STRUCTURE OF THERMOANAEROBACTERIUM XYLOLYTICUM GH116 BETA-GLUCOSIDASE WITH A COVALENTLY BOUND CYCLOPHELLITOL AZIRIDINE
From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
[[Category: Unreleased Structures]]
</div>
[[Category: Davies, G.J]]
<div class="pdbe-citations 8r06" style="background-color:#fffaf0;"></div>
[[Category: Breen, I.Z]]
== References ==
[[Category: Offen, W.A]]
<references/>
__TOC__
</StructureSection>
[[Category: Large Structures]]
[[Category: Thermoanaerobacterium xylanolyticum LX-11]]
[[Category: Breen IZ]]
[[Category: Davies GJ]]
[[Category: Offen WA]]
Retrieved from "https://proteopedia.org/8r06"