2w8f: Difference between revisions

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== Structural highlights ==
== Structural highlights ==
<table><tr><td colspan='2'>[[2w8f]] is a 10 chain structure with sequence from [https://en.wikipedia.org/wiki/Aplysia_californica Aplysia californica]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2W8F OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2W8F FirstGlance]. <br>
<table><tr><td colspan='2'>[[2w8f]] is a 10 chain structure with sequence from [https://en.wikipedia.org/wiki/Aplysia_californica Aplysia californica]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2W8F OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2W8F FirstGlance]. <br>
</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=BS1:(3-EXO)-3-(10,11-DIHYDRO-5H-DIBENZO[A,D][7]ANNULEN-5-YLOXY)-8,8-DIMETHYL-8-AZONIABICYCLO[3.2.1]OCTANE'>BS1</scene></td></tr>
</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 2.7&#8491;</td></tr>
<tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat"><div style='overflow: auto; max-height: 3em;'>[[2br8|2br8]], [[2br7|2br7]], [[2byr|2byr]], [[2byp|2byp]], [[2c9t|2c9t]], [[2byn|2byn]], [[2bys|2bys]], [[2byq|2byq]], [[2uz6|2uz6]], [[2w8e|2w8e]], [[2w8g|2w8g]]</div></td></tr>
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=BS1:(3-EXO)-3-(10,11-DIHYDRO-5H-DIBENZO[A,D][7]ANNULEN-5-YLOXY)-8,8-DIMETHYL-8-AZONIABICYCLO[3.2.1]OCTANE'>BS1</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=2w8f FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2w8f OCA], [https://pdbe.org/2w8f PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2w8f RCSB], [https://www.ebi.ac.uk/pdbsum/2w8f PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2w8f ProSAT]</span></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=2w8f FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2w8f OCA], [https://pdbe.org/2w8f PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2w8f RCSB], [https://www.ebi.ac.uk/pdbsum/2w8f PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2w8f ProSAT]</span></td></tr>
</table>
</table>
== Function ==
[https://www.uniprot.org/uniprot/Q8WSF8_APLCA Q8WSF8_APLCA]
== Evolutionary Conservation ==
== Evolutionary Conservation ==
[[Image:Consurf_key_small.gif|200px|right]]
[[Image:Consurf_key_small.gif|200px|right]]
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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=2w8f ConSurf].
</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=2w8f ConSurf].
<div style="clear:both"></div>
<div style="clear:both"></div>
<div style="background-color:#fffaf0;">
== Publication Abstract from PubMed ==
Acetylcholine binding protein (AChBP) is widely considered as a functional and structural homologue of the ligand binding domain of Cys-loop receptors. We report the use of AChBP as template to identify ligands for the nicotinic receptors (nAChRs). An in silico screening protocol was set up and applied to crystal structures of AChBP. Several ligands containing a dibenzosuberyl moiety were identified and shown to bind with high affinity to AChBP and alpha7 nAChRs. Two high affinity ligands were cocrystallized with AChBP, revealing the binding mode in the orthosteric site. Functional studies revealed that these two ligands caused inhibition of the alpha7, alpha4beta2, and 5HT(3) receptors. The noncompetive blockade of the receptors suggests that these compounds act by steric hindrance of the channel. The analysis of the dual binding mode of these dibenzosuberyl-containing compounds can lead to better understanding of the complex mode of action of similar tricyclic ligands on Cys-loop receptors.
Use of Acetylcholine Binding Protein in the Search for Novel alpha7 Nicotinic Receptor Ligands. In Silico Docking, Pharmacological Screening, and X-ray Analysis (dagger).,Ulens C, Akdemir A, Jongejan A, van Elk R, Bertrand S, Perrakis A, Leurs R, Smit AB, Sixma TK, Bertrand D, de Esch IJ J Med Chem. 2009 Mar 30. PMID:19331415<ref>PMID:19331415</ref>
From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
</div>
<div class="pdbe-citations 2w8f" style="background-color:#fffaf0;"></div>


==See Also==
==See Also==
*[[Acetylcholine binding protein 3D structures|Acetylcholine binding protein 3D structures]]
*[[Acetylcholine binding protein 3D structures|Acetylcholine binding protein 3D structures]]
== References ==
<references/>
__TOC__
__TOC__
</StructureSection>
</StructureSection>
[[Category: Aplysia californica]]
[[Category: Aplysia californica]]
[[Category: Large Structures]]
[[Category: Large Structures]]
[[Category: Akdemir, A]]
[[Category: Akdemir A]]
[[Category: Bertrand, D]]
[[Category: Bertrand D]]
[[Category: Bertrand, S]]
[[Category: Bertrand S]]
[[Category: Edink, E]]
[[Category: Edink E]]
[[Category: Elk, R van]]
[[Category: Jongejan A]]
[[Category: Esch, I J.de]]
[[Category: Leurs R]]
[[Category: Jongejan, A]]
[[Category: Perrakis A]]
[[Category: Leurs, R]]
[[Category: Sixma TK]]
[[Category: Perrakis, A]]
[[Category: Smit AB]]
[[Category: Sixma, T K]]
[[Category: Ulens C]]
[[Category: Smit, A B]]
[[Category: De Esch IJ]]
[[Category: Ulens, C]]
[[Category: Van Elk R]]
[[Category: Acetylcholine binding protein]]
[[Category: Acetylcholine receptor inhibitor]]
[[Category: Amidation]]
[[Category: Conotoxin]]
[[Category: Neurotoxin]]
[[Category: Nicotinic acetylcholine receptor-toxin complex]]
[[Category: Postsynaptic neurotoxin]]
[[Category: Receptor]]
[[Category: Toxin]]
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