View source for 4aft


==Aplysia californica AChBP in complex with Varenicline==
<StructureSection load='4aft' size='340' side='right'caption='[[4aft]], [[Resolution|resolution]] 3.20&Aring;' scene=''>
== Structural highlights ==
<table><tr><td colspan='2'>[[4aft]] is a 5 chain structure with sequence from [https://en.wikipedia.org/wiki/Aplca Aplca]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4AFT OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4AFT FirstGlance]. <br>
</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=QMR:VARENICLINE'>QMR</scene></td></tr>
<tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat"><div style='overflow: auto; max-height: 3em;'>[[2wn9|2wn9]], [[2w8f|2w8f]], [[2xz6|2xz6]], [[2y58|2y58]], [[2byp|2byp]], [[2c9t|2c9t]], [[2xyt|2xyt]], [[2byq|2byq]], [[2w8g|2w8g]], [[2x00|2x00]], [[2uz6|2uz6]], [[2wnl|2wnl]], [[2y57|2y57]], [[2br7|2br7]], [[2br8|2br8]], [[2xys|2xys]], [[2xnv|2xnv]], [[2byr|2byr]], [[2xz5|2xz5]], [[2y54|2y54]], [[2byn|2byn]], [[2bys|2bys]], [[2xnt|2xnt]], [[2wnj|2wnj]], [[2wzy|2wzy]], [[2y7y|2y7y]], [[2y56|2y56]], [[2wnc|2wnc]], [[2xnu|2xnu]], [[4afw|4afw]], [[4afo|4afo]]</div></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=4aft FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4aft OCA], [https://pdbe.org/4aft PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4aft RCSB], [https://www.ebi.ac.uk/pdbsum/4aft PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4aft ProSAT]</span></td></tr>
</table>
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== Publication Abstract from PubMed ==
Smoking cessation is an important aim in public health worldwide as tobacco smoking causes many preventable deaths. Addiction to tobacco smoking results from the binding of nicotine to nicotinic acetylcholine receptors (nAChRs) in the brain, in particular the alpha4beta2 receptor. One way to aid smoking cessation is by the use of nicotine replacement therapies or partial nAChR agonists like cytisine or varenicline. Here we present the co-crystal structures of cytisine and varenicline in complex with Aplysia californica acetylcholine-binding protein and use these as models to investigate binding of these ligands binding to nAChRs. This analysis of the binding properties of these two partial agonists provides insight into differences with nicotine binding to nAChRs. A mutational analysis reveals that the residues conveying subtype selectivity in nAChRs reside on the binding site complementary face and include features extending beyond the first shell of contacting residues.

Structural Characterization of Binding Mode of Smoking Cessation Drugs to Nicotinic Acetylcholine Receptors through Study of Ligand Complexes with Acetylcholine-binding Protein.,Rucktooa P, Haseler CA, van Elk R, Smit AB, Gallagher T, Sixma TK J Biol Chem. 2012 Jul 6;287(28):23283-93. Epub 2012 May 2. PMID:22553201<ref>PMID:22553201</ref>

From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
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<div class="pdbe-citations 4aft" style="background-color:#fffaf0;"></div>

==See Also==
*[[Acetylcholine binding protein 3D structures|Acetylcholine binding protein 3D structures]]
== References ==
<references/>
__TOC__
</StructureSection>
[[Category: Aplca]]
[[Category: Large Structures]]
[[Category: Gallagher, T]]
[[Category: Haseler, C A]]
[[Category: Rucktooa, P]]
[[Category: Sixma, T K]]
[[Category: Smit, A B]]
[[Category: VanElke, R]]
[[Category: Nicotinic]]
[[Category: Receptor protein]]