2qu2: Difference between revisions

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{{Seed}}
[[Image:2qu2.png|left|200px]]


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==BACE1 with Compound 1==
The line below this paragraph, containing "STRUCTURE_2qu2", creates the "Structure Box" on the page.
<StructureSection load='2qu2' size='340' side='right'caption='[[2qu2]], [[Resolution|resolution]] 2.60&Aring;' scene=''>
You may change the PDB parameter (which sets the PDB file loaded into the applet)
== Structural highlights ==
or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
<table><tr><td colspan='2'>[[2qu2]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2QU2 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2QU2 FirstGlance]. <br>
or leave the SCENE parameter empty for the default display.
</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 2.6&#8491;</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=251:N-[AMINO(IMINO)METHYL]-2-(2,5-DIPHENYL-1H-PYRROL-1-YL)ACETAMIDE'>251</scene></td></tr>
{{STRUCTURE_2qu2|  PDB=2qu2  |  SCENE= }}
<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=2qu2 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2qu2 OCA], [https://pdbe.org/2qu2 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2qu2 RCSB], [https://www.ebi.ac.uk/pdbsum/2qu2 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2qu2 ProSAT]</span></td></tr>
</table>
== Function ==
[https://www.uniprot.org/uniprot/BACE1_HUMAN BACE1_HUMAN] Responsible for the proteolytic processing of the amyloid precursor protein (APP). Cleaves at the N-terminus of the A-beta peptide sequence, between residues 671 and 672 of APP, leads to the generation and extracellular release of beta-cleaved soluble APP, and a corresponding cell-associated C-terminal fragment which is later released by gamma-secretase.<ref>PMID:10677483</ref> <ref>PMID:20354142</ref>
== Evolutionary Conservation ==
[[Image:Consurf_key_small.gif|200px|right]]
Check<jmol>
  <jmolCheckbox>
    <scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/qu/2qu2_consurf.spt"</scriptWhenChecked>
    <scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview03.spt</scriptWhenUnchecked>
    <text>to colour the structure by Evolutionary Conservation</text>
  </jmolCheckbox>
</jmol>, as determined by [http://consurfdb.tau.ac.il/ ConSurfDB]. You may read the [[Conservation%2C_Evolutionary|explanation]] of the method and the full data available from [http://bental.tau.ac.il/new_ConSurfDB/main_output.php?pdb_ID=2qu2 ConSurf].
<div style="clear:both"></div>
<div style="background-color:#fffaf0;">
== Publication Abstract from PubMed ==
A series of thiophene-substituted acylguanidines were designed from a pyrrole substituted acylguanidine HTS lead. This template allowed a greater flexibility, through differential Suzuki couplings, to explore the binding site of BACE1 and to enhance the inhibitory potencies. This exploration provided a 25-fold enhancement in potency to yield compound 10a, which was 150 nM in a BACE1 FRET assay.


===BACE1 with Compound 1===
Thiophene substituted acylguanidines as BACE1 inhibitors.,Fobare WF, Solvibile WR, Robichaud AJ, Malamas MS, Manas E, Turner J, Hu Y, Wagner E, Chopra R, Cowling R, Jin G, Bard J Bioorg Med Chem Lett. 2007 Oct 1;17(19):5353-6. Epub 2007 Aug 11. PMID:17761418<ref>PMID:17761418</ref>


From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
</div>
<div class="pdbe-citations 2qu2" style="background-color:#fffaf0;"></div>


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==See Also==
The line below this paragraph, {{ABSTRACT_PUBMED_17761418}}, adds the Publication Abstract to the page
*[[Beta secretase 3D structures|Beta secretase 3D structures]]
(as it appears on PubMed at http://www.pubmed.gov), where 17761418 is the PubMed ID number.
== References ==
-->
<references/>
{{ABSTRACT_PUBMED_17761418}}
__TOC__
 
</StructureSection>
==About this Structure==
2QU2 is a 1 chain structure of sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2QU2 OCA].
 
==Reference==
<ref group="xtra">PMID:17761418</ref><references group="xtra"/>
[[Category: Homo sapiens]]
[[Category: Homo sapiens]]
[[Category: Memapsin 2]]
[[Category: Large Structures]]
[[Category: Chopra, R.]]
[[Category: Chopra R]]
[[Category: Acylguanidine]]
[[Category: Alternative splicing]]
[[Category: Aspartyl protease]]
[[Category: Bace1]]
[[Category: Glycoprotein]]
[[Category: Hydrolase]]
[[Category: Inhibitor]]
[[Category: Membrane]]
[[Category: Protease]]
[[Category: Structure]]
[[Category: Transmembrane]]
[[Category: Zymogen]]
 
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Retrieved from "https://proteopedia.org/2qu2"