3duy: Difference between revisions

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{{Seed}}
[[Image:3duy.png|left|200px]]


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==Crystal structure of human beta-secretase in complex with NVP-AFJ144==
The line below this paragraph, containing "STRUCTURE_3duy", creates the "Structure Box" on the page.
<StructureSection load='3duy' size='340' side='right'caption='[[3duy]], [[Resolution|resolution]] 1.97&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'>[[3duy]] is a 3 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=3DUY OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3DUY 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]] 1.97&#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=AFJ:(2R,4S,5S)-N-BUTYL-4-HYDROXY-2,7-DIMETHYL-5-{[N-(4-METHYLPENTANOYL)-L-METHIONYL]AMINO}OCTANAMIDE'>AFJ</scene></td></tr>
{{STRUCTURE_3duy|  PDB=3duy  |  SCENE= }}
<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=3duy FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3duy OCA], [https://pdbe.org/3duy PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3duy RCSB], [https://www.ebi.ac.uk/pdbsum/3duy PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3duy 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/du/3duy_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=3duy ConSurf].
<div style="clear:both"></div>
<div style="background-color:#fffaf0;">
== Publication Abstract from PubMed ==
The hydroxyethylene octapeptide inhibitor OM99-2 served as starting point to create the tripeptide inhibitor 1 and its analogues 2a and b. An X-ray co-crystal structure of 1 with BACE-1 allowed the design and syntheses of a series of macrocyclic analogues 3a-h covalently linking the P1 and P3 side-chains. These inhibitors show improved enzymatic potency over their open-chain analogue. Inhibitor 3h also shows activity in a cellular system.


===Crystal structure of human beta-secretase in complex with NVP-AFJ144===
Structure-based design and synthesis of macrocyclic peptidomimetic beta-secretase (BACE-1) inhibitors.,Machauer R, Veenstra S, Rondeau JM, Tintelnot-Blomley M, Betschart C, Neumann U, Paganetti P Bioorg Med Chem Lett. 2009 Mar 1;19(5):1361-5. Epub 2009 Jan 19. PMID:19195886<ref>PMID:19195886</ref>


From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
</div>
<div class="pdbe-citations 3duy" style="background-color:#fffaf0;"></div>


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==See Also==
The line below this paragraph, {{ABSTRACT_PUBMED_19195886}}, 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 19195886 is the PubMed ID number.
== References ==
-->
<references/>
{{ABSTRACT_PUBMED_19195886}}
__TOC__
 
</StructureSection>
==About this Structure==
3DUY is a 3 chains structure of sequences 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=3DUY OCA].
 
==Reference==
<ref group="xtra">PMID:19195886</ref><references group="xtra"/>
[[Category: Homo sapiens]]
[[Category: Homo sapiens]]
[[Category: Memapsin 2]]
[[Category: Large Structures]]
[[Category: Rondeau, J M.]]
[[Category: Rondeau J-M]]
[[Category: Alternative splicing]]
[[Category: Alzheimer's disease]]
[[Category: Aspartyl protease]]
[[Category: Bace1]]
[[Category: Beta-secretase]]
[[Category: Enzyme inhibitor complex]]
[[Category: Glycoprotein]]
[[Category: Hydrolase]]
[[Category: Memapsin2]]
[[Category: Membrane]]
[[Category: Protease]]
[[Category: Transmembrane]]
[[Category: Zymogen]]
 
''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Wed Mar 11 11:00:47 2009''

Latest revision as of 09:48, 6 November 2024

Crystal structure of human beta-secretase in complex with NVP-AFJ144

3duy, resolution 1.97Å

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