This old version of Proteopedia is provided for student assignments while the new version is undergoing repairs. Content and edits done in this old version of Proteopedia after March 1, 2026 will eventually be lost when it is retired in about June of 2026.

Apply for new accounts at the new Proteopedia. Your logins will work in both the old and new versions.


1w51

From Proteopedia

(Difference between revisions)
Jump to: navigation, search
Current revision (13:16, 13 December 2023) (edit) (undo)
 
(16 intermediate revisions not shown.)
Line 1: Line 1:
-
[[Image:1w51.gif|left|200px]]
 
-
{{Structure
+
==BACE (Beta Secretase) in complex with a nanomolar non-peptidic inhibitor==
-
|PDB= 1w51 |SIZE=350|CAPTION= <scene name='initialview01'>1w51</scene>, resolution 2.55&Aring;
+
<StructureSection load='1w51' size='340' side='right'caption='[[1w51]], [[Resolution|resolution]] 2.55&Aring;' scene=''>
-
|SITE= <scene name='pdbsite=AC1:L01+Binding+Site+For+Chain+A'>AC1</scene>
+
== Structural highlights ==
-
|LIGAND= <scene name='pdbligand=IOD:IODIDE+ION'>IOD</scene> and <scene name='pdbligand=L01:3-[({(1S,2R)-1-BENZYL-2-HYDROXY-3-[(3-METHOXYBENZYL)AMINO]PROPYL}AMINO)(HYDROXY)METHYL]-N,N-DIPROPYLBENZAMIDE'>L01</scene>
+
<table><tr><td colspan='2'>[[1w51]] is a 1 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=1W51 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1W51 FirstGlance]. <br>
-
|ACTIVITY= [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]
+
</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 2.55&#8491;</td></tr>
-
|GENE=
+
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=IOD:IODIDE+ION'>IOD</scene>, <scene name='pdbligand=L01:3-[({(1S,2R)-1-BENZYL-2-HYDROXY-3-[(3-METHOXYBENZYL)AMINO]PROPYL}AMINO)(HYDROXY)METHYL]-N,N-DIPROPYLBENZAMIDE'>L01</scene></td></tr>
-
}}
+
<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=1w51 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1w51 OCA], [https://pdbe.org/1w51 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1w51 RCSB], [https://www.ebi.ac.uk/pdbsum/1w51 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1w51 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/w5/1w51_consurf.spt"</scriptWhenChecked>
 +
<scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.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=1w51 ConSurf].
 +
<div style="clear:both"></div>
 +
<div style="background-color:#fffaf0;">
 +
== Publication Abstract from PubMed ==
 +
Human BACE, also known as beta-secretase, shows promise as a potential therapeutic target for Alzheimer's disease. We determined the apo structure of BACE to 1.75 A, and a structure of a hydroxyethylamine inhibitor complex derived by soaking. These show significant active-site movements compared to previously described BACE structures. Additionally, the structures reveal two pockets that could be targeted by structure-based drug design.
-
'''BACE (BETA SECRETASE) IN COMPLEX WITH A NANOMOLAR NON-PEPTIDIC INHIBITOR'''
+
Apo and inhibitor complex structures of BACE (beta-secretase).,Patel S, Vuillard L, Cleasby A, Murray CW, Yon J J Mol Biol. 2004 Oct 15;343(2):407-16. PMID:15451669<ref>PMID:15451669</ref>
 +
From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
 +
</div>
 +
<div class="pdbe-citations 1w51" style="background-color:#fffaf0;"></div>
-
==Overview==
+
==See Also==
-
Human BACE, also known as beta-secretase, shows promise as a potential therapeutic target for Alzheimer's disease. We determined the apo structure of BACE to 1.75 A, and a structure of a hydroxyethylamine inhibitor complex derived by soaking. These show significant active-site movements compared to previously described BACE structures. Additionally, the structures reveal two pockets that could be targeted by structure-based drug design.
+
*[[Beta secretase|Beta secretase]]
-
 
+
*[[Beta secretase 3D structures|Beta secretase 3D structures]]
-
==About this Structure==
+
== References ==
-
1W51 is a [[Single protein]] structure of 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=1W51 OCA].
+
<references/>
-
 
+
__TOC__
-
==Reference==
+
</StructureSection>
-
Apo and inhibitor complex structures of BACE (beta-secretase)., Patel S, Vuillard L, Cleasby A, Murray CW, Yon J, J Mol Biol. 2004 Oct 15;343(2):407-16. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/15451669 15451669]
+
[[Category: Homo sapiens]]
[[Category: Homo sapiens]]
-
[[Category: Memapsin 2]]
+
[[Category: Large Structures]]
-
[[Category: Single protein]]
+
[[Category: Cleasby A]]
-
[[Category: Cleasby, A.]]
+
[[Category: Murray CW]]
-
[[Category: Murray, C W.]]
+
[[Category: Patel S]]
-
[[Category: Patel, S.]]
+
[[Category: Vuillard L]]
-
[[Category: Vuillard, L.]]
+
[[Category: Yon J]]
-
[[Category: Yon, J.]]
+
-
[[Category: IOD]]
+
-
[[Category: L01]]
+
-
[[Category: alternative splicing]]
+
-
[[Category: alzheimer's disease]]
+
-
[[Category: aspartic protease]]
+
-
[[Category: aspartyl protease]]
+
-
[[Category: base]]
+
-
[[Category: beta-secretase]]
+
-
[[Category: glycoprotein]]
+
-
[[Category: hydrolase]]
+
-
[[Category: memapsin 2]]
+
-
[[Category: signal]]
+
-
[[Category: transmembrane]]
+
-
[[Category: zymogen]]
+
-
 
+
-
''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Mar 20 14:52:15 2008''
+

Current revision

BACE (Beta Secretase) in complex with a nanomolar non-peptidic inhibitor

PDB ID 1w51

Drag the structure with the mouse to rotate

Proteopedia Page Contributors and Editors (what is this?)

OCA

Retrieved from "http://52.214.119.220/wiki/index.php/1w51"
Personal tools