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.


3lpi

From Proteopedia

(Difference between revisions)
Jump to: navigation, search
Current revision (09:01, 1 November 2017) (edit) (undo)
 
(6 intermediate revisions not shown.)
Line 1: Line 1:
-
{{Seed}}
 
-
[[Image:3lpi.png|left|200px]]
 
-
<!--
+
==Structure of BACE Bound to SCH745132==
-
The line below this paragraph, containing "STRUCTURE_3lpi", creates the "Structure Box" on the page.
+
<StructureSection load='3lpi' size='340' side='right' caption='[[3lpi]], [[Resolution|resolution]] 2.05&Aring;' scene=''>
-
You may change the PDB parameter (which sets the PDB file loaded into the applet)
+
== Structural highlights ==
-
or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
+
<table><tr><td colspan='2'>[[3lpi]] is a 2 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=3LPI OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3LPI FirstGlance]. <br>
-
or leave the SCENE parameter empty for the default display.
+
</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=TLA:L(+)-TARTARIC+ACID'>TLA</scene>, <scene name='pdbligand=Z74:N-{(1S,2S)-1-(3,5-DIFLUOROBENZYL)-2-HYDROXY-2-[(2R)-4-(PHENYLSULFONYL)PIPERAZIN-2-YL]ETHYL}-5-METHYL-N,N-DIPROPYLBENZENE-1,3-DICARBOXAMIDE'>Z74</scene></td></tr>
-
-->
+
<tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[3lpj|3lpj]], [[3lpk|3lpk]]</td></tr>
-
{{STRUCTURE_3lpi| PDB=3lpi | SCENE= }}
+
<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>
 +
<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>
 +
<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=3lpi FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3lpi OCA], [http://pdbe.org/3lpi PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=3lpi RCSB], [http://www.ebi.ac.uk/pdbsum/3lpi PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=3lpi ProSAT]</span></td></tr>
 +
</table>
 +
== Function ==
 +
[[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>
 +
== 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/lp/3lpi_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=3lpi ConSurf].
 +
<div style="clear:both"></div>
 +
<div style="background-color:#fffaf0;">
 +
== Publication Abstract from PubMed ==
 +
With collaboration between chemistry, X-ray crystallography, and molecular modeling, we designed and synthesized a series of novel piperazine sulfonamide BACE1 inhibitors. Iterative exploration of the non-prime side and S2' sub-pocket of the enzyme culminated in identification of an analog that potently lowers peripheral Abeta(40) in transgenic mice with a single subcutaneous dose.
-
===Structure of BACE Bound to SCH745132===
+
Piperazine sulfonamide BACE1 inhibitors: design, synthesis, and in vivo characterization.,Cumming J, Babu S, Huang Y, Carrol C, Chen X, Favreau L, Greenlee W, Guo T, Kennedy M, Kuvelkar R, Le T, Li G, McHugh N, Orth P, Ozgur L, Parker E, Saionz K, Stamford A, Strickland C, Tadesse D, Voigt J, Zhang L, Zhang Q Bioorg Med Chem Lett. 2010 May 1;20(9):2837-42. Epub 2010 Mar 12. PMID:20347593<ref>PMID:20347593</ref>
-
 
+
From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
-
<!--
+
</div>
-
The line below this paragraph, {{ABSTRACT_PUBMED_20347593}}, adds the Publication Abstract to the page
+
<div class="pdbe-citations 3lpi" style="background-color:#fffaf0;"></div>
-
(as it appears on PubMed at http://www.pubmed.gov), where 20347593 is the PubMed ID number.
+
== References ==
-
-->
+
<references/>
-
{{ABSTRACT_PUBMED_20347593}}
+
__TOC__
-
 
+
</StructureSection>
-
==About this Structure==
+
[[Category: Human]]
-
3LPI is a 2 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=3LPI OCA].
+
-
 
+
-
==Reference==
+
-
<ref group="xtra">PMID:20347593</ref><references group="xtra"/>
+
-
[[Category: Homo sapiens]]
+
[[Category: Memapsin 2]]
[[Category: Memapsin 2]]
-
[[Category: Cumming, J.]]
+
[[Category: Cumming, J]]
-
[[Category: Strickland, C.]]
+
[[Category: Strickland, C]]
[[Category: Alzheimers']]
[[Category: Alzheimers']]
[[Category: Aspartyl protease]]
[[Category: Aspartyl protease]]
[[Category: Hydrolase]]
[[Category: Hydrolase]]
- 
-
''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Wed May 5 11:22:11 2010''
 

Current revision

Structure of BACE Bound to SCH745132

3lpi, resolution 2.05Å

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/3lpi"
Personal tools