2w8f - Revision history

OCA at 09:35, 14 February 2024

OCA — Wed, 14 Feb 2024 09:35:20 GMT

←Older revision		Revision as of 09:35, 14 February 2024
Line 4:		Line 4:
	== 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]] 2.7Å</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]]
Line 18:		Line 20:
	</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®/PubMed®, 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~~]]	+

OCA at 11:00, 6 April 2022

OCA — Wed, 06 Apr 2022 11:00:12 GMT

←Older revision		Revision as of 11:00, 6 April 2022
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	<StructureSection load='2w8f' size='340' side='right'caption='[[2w8f]], [[Resolution\|resolution]] 2.70Å' scene=''>		<StructureSection load='2w8f' size='340' side='right'caption='[[2w8f]], [[Resolution\|resolution]] 2.70Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[2w8f]] is a 10 chain structure with sequence from [~~http~~://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 [~~http~~://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='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='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[2br8\|2br8]], [[2br7\|2br7]], [[2byr\|2byr]], [[2byp\|2byp]], [[2c9t\|2c9t]], [[2byn\|2byn]], [[2bys\|2bys]], [[2byq\|2byq]], [[2uz6\|2uz6]], [[2w8e\|2w8e]], [[2w8g\|2w8g]]</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='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[~~http~~://proteopedia.org/fgij/fg.htm?mol=2w8f FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2w8f OCA], [~~http~~://pdbe.org/2w8f PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=2w8f RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/2w8f PDBsum], [~~http~~://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>
	== Evolutionary Conservation ==		== Evolutionary Conservation ==

OCA at 08:20, 1 July 2020

OCA — Wed, 01 Jul 2020 08:20:52 GMT

←Older revision		Revision as of 08:20, 1 July 2020
Line 1:		Line 1:

	==Aplysia californica AChBP bound to in silico compound 31==		==Aplysia californica AChBP bound to in silico compound 31==
-	<StructureSection load='2w8f' size='340' side='right' caption='[[2w8f]], [[Resolution\|resolution]] 2.70Å' scene=''>	+	<StructureSection load='2w8f' size='340' side='right'caption='[[2w8f]], [[Resolution\|resolution]] 2.70Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[2w8f]] is a 10 chain structure with sequence from [http://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 [http://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=2W8F FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[2w8f]] is a 10 chain structure with sequence from [http://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 [http://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"><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='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='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[2br8\|2br8]], [[2br7\|2br7]], [[2byr\|2byr]], [[2byp\|2byp]], [[2c9t\|2c9t]], [[2byn\|2byn]], [[2bys\|2bys]], [[2byq\|2byq]], [[2uz6\|2uz6]], [[2w8e\|2w8e]], [[2w8g\|2w8g]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[2br8\|2br8]], [[2br7\|2br7]], [[2byr\|2byr]], [[2byp\|2byp]], [[2c9t\|2c9t]], [[2byn\|2byn]], [[2bys\|2bys]], [[2byq\|2byq]], [[2uz6\|2uz6]], [[2w8e\|2w8e]], [[2w8g\|2w8g]]</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=2w8f FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2w8f OCA], [http://pdbe.org/2w8f PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=2w8f RCSB], [http://www.ebi.ac.uk/pdbsum/2w8f PDBsum], [http://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'>[http://proteopedia.org/fgij/fg.htm?mol=2w8f FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2w8f OCA], [http://pdbe.org/2w8f PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=2w8f RCSB], [http://www.ebi.ac.uk/pdbsum/2w8f PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=2w8f ProSAT]</span></td></tr>
	</table>		</table>
	== Evolutionary Conservation ==		== Evolutionary Conservation ==
Line 29:		Line 29:

	==See Also==		==See Also==
-	*[[Acetylcholine binding protein\|Acetylcholine binding protein]]	+	*[[Acetylcholine binding protein 3D structures\|Acetylcholine binding protein 3D structures]]
	== References ==		== References ==
	<references/>		<references/>
Line 35:		Line 35:
	</StructureSection>		</StructureSection>
	[[Category: Aplysia californica]]		[[Category: Aplysia californica]]
		+	[[Category: Large Structures]]
	[[Category: Akdemir, A]]		[[Category: Akdemir, A]]
	[[Category: Bertrand, D]]		[[Category: Bertrand, D]]

OCA at 09:39, 26 September 2018

OCA — Wed, 26 Sep 2018 09:39:53 GMT

←Older revision		Revision as of 09:39, 26 September 2018
Line 1:		Line 1:
-	==~~APLYSIA CALIFORNICA ACHBP BOUND TO IN SILICO COMPOUND~~ 31==	+
		+	==Aplysia californica AChBP bound to in silico compound 31==
	<StructureSection load='2w8f' size='340' side='right' caption='[[2w8f]], [[Resolution\|resolution]] 2.70Å' scene=''>		<StructureSection load='2w8f' size='340' side='right' caption='[[2w8f]], [[Resolution\|resolution]] 2.70Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
Line 5:		Line 6:
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><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='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><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='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[2br8\|2br8]], [[2br7\|2br7]], [[2byr\|2byr]], [[2byp\|2byp]], [[2c9t\|2c9t]], [[2byn\|2byn]], [[2bys\|2bys]], [[2byq\|2byq]], [[2uz6\|2uz6]], [[2w8e\|2w8e]], [[2w8g\|2w8g]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[2br8\|2br8]], [[2br7\|2br7]], [[2byr\|2byr]], [[2byp\|2byp]], [[2c9t\|2c9t]], [[2byn\|2byn]], [[2bys\|2bys]], [[2byq\|2byq]], [[2uz6\|2uz6]], [[2w8e\|2w8e]], [[2w8g\|2w8g]]</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=2w8f FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2w8f OCA], [http://pdbe.org/2w8f PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=2w8f RCSB], [http://www.ebi.ac.uk/pdbsum/2w8f PDBsum]</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=2w8f FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2w8f OCA], [http://pdbe.org/2w8f PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=2w8f RCSB], [http://www.ebi.ac.uk/pdbsum/2w8f PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=2w8f ProSAT]</span></td></tr>
	</table>		</table>
	== Evolutionary Conservation ==		== Evolutionary Conservation ==
Line 11:		Line 12:
	Check<jmol>		Check<jmol>
	<jmolCheckbox>		<jmolCheckbox>
-	<scriptWhenChecked>select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/w8/2w8f_consurf.spt"</scriptWhenChecked>	+	<scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/w8/2w8f_consurf.spt"</scriptWhenChecked>
	<scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.spt</scriptWhenUnchecked>		<scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.spt</scriptWhenUnchecked>
	<text>to colour the structure by Evolutionary Conservation</text>		<text>to colour the structure by Evolutionary Conservation</text>
Line 38:		Line 39:
	[[Category: Bertrand, S]]		[[Category: Bertrand, S]]
	[[Category: Edink, E]]		[[Category: Edink, E]]
-	[[Category: Elk, R ~~Van~~]]	+	[[Category: Elk, R van]]
-	[[Category: Esch, I J.De]]	+	[[Category: Esch, I J.de]]
	[[Category: Jongejan, A]]		[[Category: Jongejan, A]]
	[[Category: Leurs, R]]		[[Category: Leurs, R]]

OCA at 05:07, 9 February 2016

OCA — Tue, 09 Feb 2016 05:07:55 GMT

←Older revision		Revision as of 05:07, 9 February 2016
Line 5:		Line 5:
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><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='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><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='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[2br8\|2br8]], [[2br7\|2br7]], [[2byr\|2byr]], [[2byp\|2byp]], [[2c9t\|2c9t]], [[2byn\|2byn]], [[2bys\|2bys]], [[2byq\|2byq]], [[2uz6\|2uz6]], [[2w8e\|2w8e]], [[2w8g\|2w8g]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[2br8\|2br8]], [[2br7\|2br7]], [[2byr\|2byr]], [[2byp\|2byp]], [[2c9t\|2c9t]], [[2byn\|2byn]], [[2bys\|2bys]], [[2byq\|2byq]], [[2uz6\|2uz6]], [[2w8e\|2w8e]], [[2w8g\|2w8g]]</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=2w8f FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2w8f OCA], [http://www.rcsb.org/pdb/explore.do?structureId=2w8f RCSB], [http://www.ebi.ac.uk/pdbsum/2w8f PDBsum]</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=2w8f FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2w8f OCA], [http://pdbe.org/2w8f PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=2w8f RCSB], [http://www.ebi.ac.uk/pdbsum/2w8f PDBsum]</span></td></tr>
	</table>		</table>
	== Evolutionary Conservation ==		== Evolutionary Conservation ==
Line 15:		Line 15:
	<text>to colour the structure by Evolutionary Conservation</text>		<text>to colour the structure by Evolutionary Conservation</text>
	</jmolCheckbox>		</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/~~chain_selection~~.php?pdb_ID=~~2ata~~ 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;">		<div style="background-color:#fffaf0;">
Line 25:		Line 25:
	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>		From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
	</div>		</div>
		+	<div class="pdbe-citations 2w8f" style="background-color:#fffaf0;"></div>

	==See Also==		==See Also==

OCA at 18:34, 19 January 2015

OCA — Mon, 19 Jan 2015 18:34:02 GMT

←Older revision		Revision as of 18:34, 19 January 2015
Line 3:		Line 3:
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[2w8f]] is a 10 chain structure with sequence from [http://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 [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2W8F FirstGlance]. <br>		<table><tr><td colspan='2'>[[2w8f]] is a 10 chain structure with sequence from [http://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 [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2W8F FirstGlance]. <br>
-	</td></tr><tr><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><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><br>	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><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><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[2br8\|2br8]], [[2br7\|2br7]], [[2byr\|2byr]], [[2byp\|2byp]], [[2c9t\|2c9t]], [[2byn\|2byn]], [[2bys\|2bys]], [[2byq\|2byq]], [[2uz6\|2uz6]], [[2w8e\|2w8e]], [[2w8g\|2w8g]]</td></tr>	+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[2br8\|2br8]], [[2br7\|2br7]], [[2byr\|2byr]], [[2byp\|2byp]], [[2c9t\|2c9t]], [[2byn\|2byn]], [[2bys\|2bys]], [[2byq\|2byq]], [[2uz6\|2uz6]], [[2w8e\|2w8e]], [[2w8g\|2w8g]]</td></tr>
-	<tr><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2w8f FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2w8f OCA], [http://www.rcsb.org/pdb/explore.do?structureId=2w8f RCSB], [http://www.ebi.ac.uk/pdbsum/2w8f PDBsum]</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=2w8f FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2w8f OCA], [http://www.rcsb.org/pdb/explore.do?structureId=2w8f RCSB], [http://www.ebi.ac.uk/pdbsum/2w8f PDBsum]</span></td></tr>
-	<table>	+	</table>
	== Evolutionary Conservation ==		== Evolutionary Conservation ==
	[[Image:Consurf_key_small.gif\|200px\|right]]		[[Image:Consurf_key_small.gif\|200px\|right]]
Line 33:		Line 33:
	</StructureSection>		</StructureSection>
	[[Category: Aplysia californica]]		[[Category: Aplysia californica]]
-	[[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: Elk, R Van]]
-	[[Category: Esch, I J.De.]]	+	[[Category: Esch, I J.De]]
-	[[Category: Jongejan, A.]]	+	[[Category: Jongejan, A]]
-	[[Category: Leurs, R.]]	+	[[Category: Leurs, R]]
-	[[Category: Perrakis, A.]]	+	[[Category: Perrakis, A]]
-	[[Category: Sixma, T K.]]	+	[[Category: Sixma, T K]]
-	[[Category: Smit, A B.]]	+	[[Category: Smit, A B]]
-	[[Category: Ulens, C.]]	+	[[Category: Ulens, C]]
	[[Category: Acetylcholine binding protein]]		[[Category: Acetylcholine binding protein]]
	[[Category: Acetylcholine receptor inhibitor]]		[[Category: Acetylcholine receptor inhibitor]]

OCA at 10:23, 29 September 2014

OCA — Mon, 29 Sep 2014 10:23:45 GMT

←Older revision		Revision as of 10:23, 29 September 2014
Line 1:		Line 1:
-	[[~~Image:~~2w8f.~~png~~\|~~left~~\|200px]]	+	==APLYSIA CALIFORNICA ACHBP BOUND TO IN SILICO COMPOUND 31==
		+	<StructureSection load='2w8f' size='340' side='right' caption='[[2w8f]], [[Resolution\|resolution]] 2.70Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[2w8f]] is a 10 chain structure with sequence from [http://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 [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2W8F FirstGlance]. <br>
		+	</td></tr><tr><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><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><br>
		+	<tr><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[2br8\|2br8]], [[2br7\|2br7]], [[2byr\|2byr]], [[2byp\|2byp]], [[2c9t\|2c9t]], [[2byn\|2byn]], [[2bys\|2bys]], [[2byq\|2byq]], [[2uz6\|2uz6]], [[2w8e\|2w8e]], [[2w8g\|2w8g]]</td></tr>
		+	<tr><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2w8f FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2w8f OCA], [http://www.rcsb.org/pdb/explore.do?structureId=2w8f RCSB], [http://www.ebi.ac.uk/pdbsum/2w8f PDBsum]</span></td></tr>
		+	<table>
		+	== 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/w8/2w8f_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/chain_selection.php?pdb_ID=2ata ConSurf].
		+	<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.

-	~~{{STRUCTURE_2w8f\| PDB=2w8f \| SCENE= }}~~	+	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>

-	~~===APLYSIA CALIFORNICA ACHBP BOUND TO IN SILICO COMPOUND 31===~~	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-		+	</div>
-	~~{{ABSTRACT_PUBMED_19331415}}~~	+
-		+
-	~~==About this Structure==~~	+
-	~~[[2w8f]] is~~ a ~~10 chain structure with sequence from [http://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].~~	+

	==See Also==		==See Also==
	*[[Acetylcholine binding protein\|Acetylcholine binding protein]]		*[[Acetylcholine binding protein\|Acetylcholine binding protein]]
-		+	== References ==
-	==~~Reference~~==	+	<references/>
-	<~~ref group="xtra">PMID:019331415<~~/~~ref~~><~~references group="xtra"~~/>	+	__TOC__
		+	</StructureSection>
	[[Category: Aplysia californica]]		[[Category: Aplysia californica]]
	[[Category: Akdemir, A.]]		[[Category: Akdemir, A.]]

OCA at 12:44, 20 October 2012

OCA — Sat, 20 Oct 2012 12:44:55 GMT

←Older revision		Revision as of 12:44, 20 October 2012
Line 8:		Line 8:

	==About this Structure==		==About this Structure==
-	[[2w8f]] is a 10 chain structure ~~of [[Acetylcholine binding protein]]~~ with sequence from [http://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].	+	[[2w8f]] is a 10 chain structure with sequence from [http://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].

	==See Also==		==See Also==

OCA at 09:45, 26 July 2012

OCA — Thu, 26 Jul 2012 09:45:23 GMT

←Older revision		Revision as of 09:45, 26 July 2012
Line 1:		Line 1:
	[[Image:2w8f.png\|left\|200px]]		[[Image:2w8f.png\|left\|200px]]

-	<!--
-	The line below this paragraph, containing "STRUCTURE_2w8f", creates the "Structure Box" on the page.
-	You may change the PDB parameter (which sets the PDB file loaded into the applet)
-	or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
-	or leave the SCENE parameter empty for the default display.
-	-->
	{{STRUCTURE_2w8f\| PDB=2w8f \| SCENE= }}		{{STRUCTURE_2w8f\| PDB=2w8f \| SCENE= }}

	===APLYSIA CALIFORNICA ACHBP BOUND TO IN SILICO COMPOUND 31===		===APLYSIA CALIFORNICA ACHBP BOUND TO IN SILICO COMPOUND 31===

-
-	<!--
-	The line below this paragraph, {{ABSTRACT_PUBMED_19331415}}, adds the Publication Abstract to the page
-	(as it appears on PubMed at http://www.pubmed.gov), where 19331415 is the PubMed ID number.
-	-->
	{{ABSTRACT_PUBMED_19331415}}		{{ABSTRACT_PUBMED_19331415}}

Line 22:		Line 11:

	==See Also==		==See Also==
-	*[[Acetylcholine binding protein]]	+	*[[Acetylcholine binding protein\|Acetylcholine binding protein]]

	==Reference==		==Reference==

OCA at 08:21, 29 February 2012

OCA — Wed, 29 Feb 2012 08:21:38 GMT

←Older revision		Revision as of 08:21, 29 February 2012
Line 23:		Line 23:
	==See Also==		==See Also==
	*[[Acetylcholine binding protein]]		*[[Acetylcholine binding protein]]
-	*[[User:Michal Harel/AChBP]]

	==Reference==		==Reference==