2f3f
From Proteopedia
(Difference between revisions)
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==Crystal Structure of the Bace complex with BDF488, a macrocyclic inhibitor== | ==Crystal Structure of the Bace complex with BDF488, a macrocyclic inhibitor== | ||
| - | <StructureSection load='2f3f' size='340' side='right' caption='[[2f3f]], [[Resolution|resolution]] 2.30Å' scene=''> | + | <StructureSection load='2f3f' size='340' side='right'caption='[[2f3f]], [[Resolution|resolution]] 2.30Å' scene=''> |
== Structural highlights == | == Structural highlights == | ||
| - | <table><tr><td colspan='2'>[[2f3f]] is a 3 chain structure with sequence from [ | + | <table><tr><td colspan='2'>[[2f3f]] is a 3 chain structure with sequence from [https://en.wikipedia.org/wiki/Human Human]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2F3F OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2F3F FirstGlance]. <br> |
| - | </td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=AXF:(2R,4S)-N-BUTYL-4-HYDROXY-2-METHYL-+4-((E)-(4AS,12R,15S,17AS)-15-METHYL+-14,17-DIOXO-2,3,4,4A,6,9,11,12,13,+14,15,16,17,17A-TETRADECAHYDRO-1H-5+,10-DITHIA-1,13,16-TRIAZA-BENZOCYCL+OPENTADECEN-12-YL)-BUTYRAMIDE'>AXF</scene></td></tr> | + | </td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=AXF:(2R,4S)-N-BUTYL-4-HYDROXY-2-METHYL-+4-((E)-(4AS,12R,15S,17AS)-15-METHYL+-14,17-DIOXO-2,3,4,4A,6,9,11,12,13,+14,15,16,17,17A-TETRADECAHYDRO-1H-5+,10-DITHIA-1,13,16-TRIAZA-BENZOCYCL+OPENTADECEN-12-YL)-BUTYRAMIDE'>AXF</scene></td></tr> |
| - | <tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[2f3e|2f3e]]</td></tr> | + | <tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat"><div style='overflow: auto; max-height: 3em;'>[[2f3e|2f3e]]</div></td></tr> |
| - | <tr id='gene'><td class="sblockLbl"><b>[[Gene|Gene:]]</b></td><td class="sblockDat">BACE1, BACE ([ | + | <tr id='gene'><td class="sblockLbl"><b>[[Gene|Gene:]]</b></td><td class="sblockDat">BACE1, BACE ([https://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 HUMAN])</td></tr> |
| - | <tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[ | + | <tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[https://en.wikipedia.org/wiki/Memapsin_2 Memapsin 2], with EC number [https://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.23.46 3.4.23.46] </span></td></tr> |
| - | <tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[ | + | <tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=2f3f FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2f3f OCA], [https://pdbe.org/2f3f PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2f3f RCSB], [https://www.ebi.ac.uk/pdbsum/2f3f PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2f3f ProSAT]</span></td></tr> |
</table> | </table> | ||
== Function == | == 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 == | == Evolutionary Conservation == | ||
[[Image:Consurf_key_small.gif|200px|right]] | [[Image:Consurf_key_small.gif|200px|right]] | ||
Check<jmol> | Check<jmol> | ||
<jmolCheckbox> | <jmolCheckbox> | ||
| - | <scriptWhenChecked>select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/f3/2f3f_consurf.spt"</scriptWhenChecked> | + | <scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/f3/2f3f_consurf.spt"</scriptWhenChecked> |
<scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.spt</scriptWhenUnchecked> | <scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.spt</scriptWhenUnchecked> | ||
<text>to colour the structure by Evolutionary Conservation</text> | <text>to colour the structure by Evolutionary Conservation</text> | ||
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</div> | </div> | ||
<div class="pdbe-citations 2f3f" style="background-color:#fffaf0;"></div> | <div class="pdbe-citations 2f3f" style="background-color:#fffaf0;"></div> | ||
| + | |||
| + | ==See Also== | ||
| + | *[[Beta secretase 3D structures|Beta secretase 3D structures]] | ||
== References == | == References == | ||
<references/> | <references/> | ||
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</StructureSection> | </StructureSection> | ||
[[Category: Human]] | [[Category: Human]] | ||
| + | [[Category: Large Structures]] | ||
[[Category: Memapsin 2]] | [[Category: Memapsin 2]] | ||
[[Category: Rondeau, J M]] | [[Category: Rondeau, J M]] | ||
Revision as of 10:37, 17 February 2021
Crystal Structure of the Bace complex with BDF488, a macrocyclic inhibitor
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