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| | <StructureSection load='2wn9' size='340' side='right'caption='[[2wn9]], [[Resolution|resolution]] 1.75Å' scene=''> | | <StructureSection load='2wn9' size='340' side='right'caption='[[2wn9]], [[Resolution|resolution]] 1.75Å' scene=''> |
| | == Structural highlights == | | == Structural highlights == |
| - | <table><tr><td colspan='2'>[[2wn9]] is a 5 chain structure with sequence from [http://en.wikipedia.org/wiki/Aplca Aplca]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2WN9 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2WN9 FirstGlance]. <br> | + | <table><tr><td colspan='2'>[[2wn9]] 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=2WN9 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2WN9 FirstGlance]. <br> |
| - | </td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=BMA:BETA-D-MANNOSE'>BMA</scene>, <scene name='pdbligand=MAN:ALPHA-D-MANNOSE'>MAN</scene>, <scene name='pdbligand=NAG:N-ACETYL-D-GLUCOSAMINE'>NAG</scene>, <scene name='pdbligand=ZY5:4-[(E)-5,6-DIHYDRO-2,3-BIPYRIDIN-3(4H)-YLIDENEMETHYL]-3-METHOXYPHENOL'>ZY5</scene></td></tr> | + | </td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=BMA:BETA-D-MANNOSE'>BMA</scene>, <scene name='pdbligand=NAG:N-ACETYL-D-GLUCOSAMINE'>NAG</scene>, <scene name='pdbligand=ZY5:4-[(E)-5,6-DIHYDRO-2,3-BIPYRIDIN-3(4H)-YLIDENEMETHYL]-3-METHOXYPHENOL'>ZY5</scene>, <scene name='pdbligand=MAN:ALPHA-D-MANNOSE'>MAN</scene></td></tr> |
| - | <tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[2w8f|2w8f]], [[2br8|2br8]], [[2br7|2br7]], [[2byr|2byr]], [[2byp|2byp]], [[2c9t|2c9t]], [[2byn|2byn]], [[2bys|2bys]], [[2byq|2byq]], [[2w8e|2w8e]], [[2w8g|2w8g]], [[2uz6|2uz6]]</td></tr> | + | <tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat"><div style='overflow: auto; max-height: 3em;'>[[2w8f|2w8f]], [[2br8|2br8]], [[2br7|2br7]], [[2byr|2byr]], [[2byp|2byp]], [[2c9t|2c9t]], [[2byn|2byn]], [[2bys|2bys]], [[2byq|2byq]], [[2w8e|2w8e]], [[2w8g|2w8g]], [[2uz6|2uz6]]</div></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=2wn9 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2wn9 OCA], [http://pdbe.org/2wn9 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=2wn9 RCSB], [http://www.ebi.ac.uk/pdbsum/2wn9 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=2wn9 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=2wn9 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2wn9 OCA], [https://pdbe.org/2wn9 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2wn9 RCSB], [https://www.ebi.ac.uk/pdbsum/2wn9 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2wn9 ProSAT]</span></td></tr> |
| | </table> | | </table> |
| | == Evolutionary Conservation == | | == Evolutionary Conservation == |
| Structural highlights
2wn9 is a 5 chain structure with sequence from Aplca. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance.
| | Ligands: | , , , |
| Related: | 2w8f, 2br8, 2br7, 2byr, 2byp, 2c9t, 2byn, 2bys, 2byq, 2w8e, 2w8g, 2uz6 |
| Resources: | FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT |
Evolutionary Conservation
Check, as determined by ConSurfDB. You may read the explanation of the method and the full data available from ConSurf.
Publication Abstract from PubMed
The pentameric acetylcholine-binding protein (AChBP) is a soluble surrogate of the ligand binding domain of nicotinic acetylcholine receptors. Agonists bind within a nest of aromatic side chains contributed by loops C and F on opposing faces of each subunit interface. Crystal structures of Aplysia AChBP bound with the agonist anabaseine, two partial agonists selectively activating the alpha7 receptor, 3-(2,4-dimethoxybenzylidene)-anabaseine and its 4-hydroxy metabolite, and an indole-containing partial agonist, tropisetron, were solved at 2.7-1.75 A resolution. All structures identify the Trp 147 carbonyl oxygen as the hydrogen bond acceptor for the agonist-protonated nitrogen. In the partial agonist complexes, the benzylidene and indole substituent positions, dictated by tight interactions with loop F, preclude loop C from adopting the closed conformation seen for full agonists. Fluctuation in loop C position and duality in ligand binding orientations suggest molecular bases for partial agonism at full-length receptors. This study, while pointing to loop F as a major determinant of receptor subtype selectivity, also identifies a new template region for designing alpha7-selective partial agonists to treat cognitive deficits in mental and neurodegenerative disorders.
Structural determinants for interaction of partial agonists with acetylcholine binding protein and neuronal alpha7 nicotinic acetylcholine receptor.,Hibbs RE, Sulzenbacher G, Shi J, Talley TT, Conrod S, Kem WR, Taylor P, Marchot P, Bourne Y EMBO J. 2009 Oct 7;28(19):3040-51. Epub 2009 Aug 20. PMID:19696737[1]
From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.
See Also
References
- ↑ Hibbs RE, Sulzenbacher G, Shi J, Talley TT, Conrod S, Kem WR, Taylor P, Marchot P, Bourne Y. Structural determinants for interaction of partial agonists with acetylcholine binding protein and neuronal alpha7 nicotinic acetylcholine receptor. EMBO J. 2009 Oct 7;28(19):3040-51. Epub 2009 Aug 20. PMID:19696737 doi:10.1038/emboj.2009.227
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