3dv5

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[[Image:3dv5.png|left|200px]]
 
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{{STRUCTURE_3dv5| PDB=3dv5 | SCENE= }}
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==Crystal structure of human beta-secretase in complex with NVP-BAV544==
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<StructureSection load='3dv5' size='340' side='right'caption='[[3dv5]], [[Resolution|resolution]] 2.10&Aring;' scene=''>
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== Structural highlights ==
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<table><tr><td colspan='2'>[[3dv5]] 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=3DV5 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3DV5 FirstGlance]. <br>
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</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 2.1&#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=BAV:(3S,14R,16S)-16-[(1R)-1-HYDROXY-2-{[3-(1-METHYLETHYL)BENZYL]AMINO}ETHYL]-3,4,14-TRIMETHYL-1,4-DIAZACYCLOHEXADECANE-2,5-DIONE'>BAV</scene></td></tr>
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<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=3dv5 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3dv5 OCA], [https://pdbe.org/3dv5 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3dv5 RCSB], [https://www.ebi.ac.uk/pdbsum/3dv5 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3dv5 ProSAT]</span></td></tr>
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</table>
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== Function ==
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[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>
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== Evolutionary Conservation ==
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[[Image:Consurf_key_small.gif|200px|right]]
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Check<jmol>
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<jmolCheckbox>
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<scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/dv/3dv5_consurf.spt"</scriptWhenChecked>
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<scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview03.spt</scriptWhenUnchecked>
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<text>to colour the structure by Evolutionary Conservation</text>
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</jmolCheckbox>
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</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=3dv5 ConSurf].
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<div style="clear:both"></div>
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<div style="background-color:#fffaf0;">
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== Publication Abstract from PubMed ==
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The macrocyclic peptidic BACE-1 inhibitors 2a-c show moderate enzymatic and cellular activity. By exchange of the hydroxyethylene- to ethanolamine-transition state mimetic the peptidic character was reduced, providing the highly potent and selective inhibitor 3. Variation of the P' moiety resulted in the macrocyclic inhibitor 14. Both macrocycles show inhibition of BACE-1 in the brain of APP51/16 transgenic mice, 3 (NB-544) after intravenous and 14 (NB-533) after oral application.
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===Crystal structure of human beta-secretase in complex with NVP-BAV544===
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Macrocyclic peptidomimetic beta-secretase (BACE-1) inhibitors with activity in vivo.,Machauer R, Laumen K, Veenstra S, Rondeau JM, Tintelnot-Blomley M, Betschart C, Jaton AL, Desrayaud S, Staufenbiel M, Rabe S, Paganetti P, Neumann U Bioorg Med Chem Lett. 2009 Mar 1;19(5):1366-70. Epub 2009 Jan 22. PMID:19195887<ref>PMID:19195887</ref>
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{{ABSTRACT_PUBMED_19195887}}
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From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
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</div>
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==About this Structure==
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<div class="pdbe-citations 3dv5" style="background-color:#fffaf0;"></div>
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[[3dv5]] is a 3 chain structure with 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=3DV5 OCA].
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==See Also==
==See Also==
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*[[Beta secretase|Beta secretase]]
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*[[Beta secretase 3D structures|Beta secretase 3D structures]]
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== References ==
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==Reference==
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<references/>
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<ref group="xtra">PMID:019195887</ref><references group="xtra"/>
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__TOC__
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</StructureSection>
[[Category: Homo sapiens]]
[[Category: Homo sapiens]]
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[[Category: Memapsin 2]]
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[[Category: Large Structures]]
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[[Category: Rondeau, J M.]]
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[[Category: Rondeau J-M]]
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[[Category: Alzheimer's disease]]
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[[Category: Aspartic protease]]
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[[Category: Aspartyl protease]]
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[[Category: Bace1]]
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[[Category: Beta-secretase]]
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[[Category: Enzyme inhibitor complex]]
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[[Category: Glycoprotein]]
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[[Category: Hydrolase]]
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[[Category: Memapsin2]]
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[[Category: Membrane]]
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[[Category: Transmembrane]]
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[[Category: Zymogen]]
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Current revision

Crystal structure of human beta-secretase in complex with NVP-BAV544

PDB ID 3dv5

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