4bqt: Difference between revisions
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<StructureSection load='4bqt' size='340' side='right'caption='[[4bqt]], [[Resolution|resolution]] 2.88Å' scene=''> | <StructureSection load='4bqt' size='340' side='right'caption='[[4bqt]], [[Resolution|resolution]] 2.88Å' scene=''> | ||
== Structural highlights == | == Structural highlights == | ||
<table><tr><td colspan='2'>[[4bqt]] is a 5 chain structure with sequence from [https://en.wikipedia.org/wiki/ | <table><tr><td colspan='2'>[[4bqt]] is a 5 chain structure with sequence from [https://en.wikipedia.org/wiki/Aplysia_californica Aplysia californica]. This structure supersedes the now removed PDB entry [http://oca.weizmann.ac.il/oca-bin/send-pdb?obs=1&id=4afo 4afo]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4BQT OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4BQT FirstGlance]. <br> | ||
</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=C5E:(1R,5S)-1,2,3,4,5,6-HEXAHYDRO-8H-1,5-METHANOPYRIDO[1,2-A][1,5]DIAZOCIN-8-ONE'>C5E</scene>, <scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene>, <scene name='pdbligand=CO:COBALT+(II)+ION'>CO</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]] 2.88Å</td></tr> | ||
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=C5E:(1R,5S)-1,2,3,4,5,6-HEXAHYDRO-8H-1,5-METHANOPYRIDO[1,2-A][1,5]DIAZOCIN-8-ONE'>C5E</scene>, <scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene>, <scene name='pdbligand=CO:COBALT+(II)+ION'>CO</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=4bqt FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4bqt OCA], [https://pdbe.org/4bqt PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4bqt RCSB], [https://www.ebi.ac.uk/pdbsum/4bqt PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4bqt 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=4bqt FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4bqt OCA], [https://pdbe.org/4bqt PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4bqt RCSB], [https://www.ebi.ac.uk/pdbsum/4bqt PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4bqt ProSAT]</span></td></tr> | ||
</table> | </table> | ||
== Function == | |||
[https://www.uniprot.org/uniprot/Q8WSF8_APLCA Q8WSF8_APLCA] | |||
<div style="background-color:#fffaf0;"> | <div style="background-color:#fffaf0;"> | ||
== Publication Abstract from PubMed == | == Publication Abstract from PubMed == | ||
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__TOC__ | __TOC__ | ||
</StructureSection> | </StructureSection> | ||
[[Category: | [[Category: Aplysia californica]] | ||
[[Category: Large Structures]] | [[Category: Large Structures]] | ||
[[Category: Gallagher | [[Category: Gallagher T]] | ||
[[Category: Haseler | [[Category: Haseler CA]] | ||
[[Category: Rucktooa | [[Category: Rucktooa P]] | ||
[[Category: Sixma | [[Category: Sixma TK]] | ||
[[Category: Smit | [[Category: Smit AB]] | ||
[[Category: VanElke | [[Category: VanElke R]] | ||
Latest revision as of 14:56, 20 December 2023
Aplysia californica AChBP in complex with CytisineAplysia californica AChBP in complex with Cytisine
Structural highlights
FunctionPublication Abstract from PubMedSmoking 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[1] From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine. See AlsoReferences
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