3nsh

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{{Seed}}
 
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[[Image:3nsh.jpg|left|200px]]
 
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==BACE-1 in complex with ELN475957==
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The line below this paragraph, containing "STRUCTURE_3nsh", creates the "Structure Box" on the page.
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<StructureSection load='3nsh' size='340' side='right'caption='[[3nsh]], [[Resolution|resolution]] 2.20&Aring;' scene=''>
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You may change the PDB parameter (which sets the PDB file loaded into the applet)
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== Structural highlights ==
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or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
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<table><tr><td colspan='2'>[[3nsh]] 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=3NSH OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3NSH FirstGlance]. <br>
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or leave the SCENE parameter empty for the default display.
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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]] 2.2&#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=957:N-[(1S,2R)-1-(3,5-DIFLUOROBENZYL)-3-({1-[4-(2,2-DIMETHYLPROPYL)THIOPHEN-2-YL]CYCLOPROPYL}AMINO)-2-HYDROXYPROPYL]ACETAMIDE'>957</scene></td></tr>
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{{STRUCTURE_3nsh| PDB=3nsh | SCENE= }}
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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=3nsh FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3nsh OCA], [https://pdbe.org/3nsh PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3nsh RCSB], [https://www.ebi.ac.uk/pdbsum/3nsh PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3nsh 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/ns/3nsh_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=3nsh 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 structure-activity relationship of the prime region of hydroxyethylamine BACE inhibitors is described. Variation in the aryl linker region with 5- and 6-membered heterocycles provided compounds such as 33 with improved permeability and reduced P-gp liability compared to benzyl amine analog 1.
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===BACE-1 in complex with ELN475957===
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Design and synthesis of hydroxyethylamine (HEA) BACE-1 inhibitors: Structure-activity relationship of the aryl region.,Probst GD, Bowers S, Sealy JM, Stupi B, Dressen D, Jagodzinska BM, Aquino J, Gailunas A, Truong AP, Tso L, Xu YZ, Hom RK, John V, Tung JS, Pleiss MA, Tucker JA, Konradi AW, Sham HL, Jagodzinski J, Toth G, Brecht E, Yao N, Pan H, Lin M, Artis DR, Ruslim L, Bova MP, Sinha S, Yednock TA, Gauby S, Zmolek W, Quinn KP, Sauer JM Bioorg Med Chem Lett. 2010 Oct 15;20(20):6034-9. Epub 2010 Aug 19. PMID:20822903<ref>PMID:20822903</ref>
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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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<div class="pdbe-citations 3nsh" style="background-color:#fffaf0;"></div>
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==See Also==
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The line below this paragraph, {{ABSTRACT_PUBMED_20822903}}, adds the Publication Abstract to the page
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*[[Beta secretase 3D structures|Beta secretase 3D structures]]
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(as it appears on PubMed at http://www.pubmed.gov), where 20822903 is the PubMed ID number.
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== References ==
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<references/>
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{{ABSTRACT_PUBMED_20822903}}
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__TOC__
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</StructureSection>
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==About this Structure==
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3NSH is a 3 chains structure with 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=3NSH OCA].
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==Reference==
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<ref group="xtra">PMID:20822903</ref><references group="xtra"/>
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[[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: Bowers, S.]]
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[[Category: Bowers S]]
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[[Category: Brecht, E.]]
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[[Category: Brecht E]]
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[[Category: Probst, G D.]]
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[[Category: Probst GD]]
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[[Category: Sealy, J M.]]
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[[Category: Sealy JM]]
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[[Category: Yao, N.]]
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[[Category: Yao N]]
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[[Category: Asp 2]]
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[[Category: Asp2]]
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[[Category: Aspartyl protease 2]]
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[[Category: Beta-site amyloid precursor protein cleaving enzyme 1]]
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[[Category: Beta-site app cleaving enzyme 1]]
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[[Category: Hydrolase]]
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[[Category: Memapsin-2]]
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[[Category: Membrane-associated aspartic protease 2]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Wed Sep 22 14:47:45 2010''
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Current revision

BACE-1 in complex with ELN475957

PDB ID 3nsh

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