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3k5g

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{{Seed}}
 
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[[Image:3k5g.jpg|left|200px]]
 
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<!--
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==Human bace-1 complex with bjc060==
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The line below this paragraph, containing "STRUCTURE_3k5g", creates the "Structure Box" on the page.
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<StructureSection load='3k5g' size='340' side='right' caption='[[3k5g]], [[Resolution|resolution]] 2.00&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'>[[3k5g]] is a 3 chain structure with sequence from [http://en.wikipedia.org/wiki/Human Human]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3K5G OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3K5G FirstGlance]. <br>
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or leave the SCENE parameter empty for the default display.
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</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=BJC:(1R,3S)-N-[(1S,2R)-1-BENZYL-2-HYDROXY-3-{[3-(1-METHYLETHYL)BENZYL]AMINO}PROPYL]-3-[1-METHYL-1-(2-OXOPIPERIDIN-1-YL)ETHYL]CYCLOHEXANECARBOXAMIDE'>BJC</scene></td></tr>
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-->
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<tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[3k5d|3k5d]], [[3k5f|3k5f]], [[3k5c|3k5c]]</td></tr>
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{{STRUCTURE_3k5g| PDB=3k5g | SCENE= }}
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<tr id='gene'><td class="sblockLbl"><b>[[Gene|Gene:]]</b></td><td class="sblockDat">BACE, BACE1, KIAA1149 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 HUMAN])</td></tr>
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<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Memapsin_2 Memapsin 2], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.23.46 3.4.23.46] </span></td></tr>
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<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3k5g FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3k5g OCA], [http://pdbe.org/3k5g PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=3k5g RCSB], [http://www.ebi.ac.uk/pdbsum/3k5g PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=3k5g ProSAT]</span></td></tr>
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</table>
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== Function ==
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[[http://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/k5/3k5g_consurf.spt"</scriptWhenChecked>
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<scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.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=3k5g 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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Starting from peptidomimetic BACE-1 inhibitors, the P2 amino acid including the P2/P3 peptide bond was replaced by a rigid 3-aminomethyl cyclohexane carboxylic acid. Co-crystallization revealed an unexpected binding mode with the P3/P4 amide bond placed into the S3 pocket resulting in a new hydrogen bond interaction pattern. Further optimization based on this structure resulted in highly potent BACE-1 inhibitors with selectivity over BACE-2 and cathepsin D.
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===Human bace-1 complex with bjc060===
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Structure-based design and synthesis of novel P2/P3 modified, non-peptidic beta-secretase (BACE-1) inhibitors.,Hanessian S, Shao Z, Betschart C, Rondeau JM, Neumann U, Tintelnot-Blomley M Bioorg Med Chem Lett. 2010 Mar 15;20(6):1924-7. Epub 2010 Feb 2. PMID:20172717<ref>PMID:20172717</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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<!--
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</div>
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The line below this paragraph, {{ABSTRACT_PUBMED_20172717}}, adds the Publication Abstract to the page
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<div class="pdbe-citations 3k5g" style="background-color:#fffaf0;"></div>
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(as it appears on PubMed at http://www.pubmed.gov), where 20172717 is the PubMed ID number.
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== References ==
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-->
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<references/>
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{{ABSTRACT_PUBMED_20172717}}
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__TOC__
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</StructureSection>
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==About this Structure==
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[[Category: Human]]
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3K5G 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=3K5G OCA].
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==Reference==
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<ref group="xtra">PMID:20172717</ref><references group="xtra"/>
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[[Category: Homo sapiens]]
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[[Category: Memapsin 2]]
[[Category: Memapsin 2]]
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[[Category: Rondeau, J M.]]
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[[Category: Rondeau, J M]]
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[[Category: Alternative splicing]]
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[[Category: Alzheimer's disease]]
[[Category: Alzheimer's disease]]
[[Category: Aspartyl protease]]
[[Category: Aspartyl protease]]
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[[Category: Glycoprotein]]
[[Category: Glycoprotein]]
[[Category: Golgi apparatus]]
[[Category: Golgi apparatus]]
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[[Category: Hydrolase]]
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[[Category: Hydrolase-hydrolase inhibitor complex]]
[[Category: Membrane]]
[[Category: Membrane]]
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[[Category: Polymorphism]]
 
[[Category: Protease]]
[[Category: Protease]]
[[Category: Structure-based design]]
[[Category: Structure-based design]]
[[Category: Transmembrane]]
[[Category: Transmembrane]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Wed May 5 11:56:00 2010''
 

Current revision

Human bace-1 complex with bjc060

3k5g, resolution 2.00Å

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