5j5g - Revision history

OCA at 10:49, 6 September 2023

2023-09-06T10:49:09Z

←Older revision		Revision as of 10:49, 6 September 2023
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	<StructureSection load='5j5g' size='340' side='right'caption='[[5j5g]], [[Resolution\|resolution]] 2.04Å' scene=''>		<StructureSection load='5j5g' size='340' side='right'caption='[[5j5g]], [[Resolution\|resolution]] 2.04Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[5j5g]] is a 10 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5J5G OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://proteopedia.org/fgij/fg.htm?mol=5J5G FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[5j5g]] is a 10 chain structure with sequence from [https://en.wikipedia.org/wiki/Lymnaea_stagnalis Lymnaea stagnalis]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5J5G OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=5J5G FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=6GF:6-(4-METHOXYPHENYL)-N~4~,N~4~-BIS[(PYRIDIN-2-YL)METHYL]PYRIMIDINE-2,4-DIAMINE'>6GF</scene>, <scene name='pdbligand=NAG:N-ACETYL-D-GLUCOSAMINE'>NAG</scene>, <scene name='pdbligand=PO4:PHOSPHATE+ION'>PO4</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]] 2.036Å</td></tr>
-	~~<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4qaa\|4qaa]], [[4qab\|4qab]], [[4qac\|4qac]], [[5j5f\|5j5f]], [[5j5h\|5j5h]], [[5j5i\|5j5i]]~~</td></tr>	+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=6GF:6-(4-METHOXYPHENYL)-N~4~,N~4~-BIS[(PYRIDIN-2-YL)METHYL]PYRIMIDINE-2,4-DIAMINE'>6GF</scene>, <scene name='pdbligand=NAG:N-ACETYL-D-GLUCOSAMINE'>NAG</scene>, <scene name='pdbligand=PO4:PHOSPHATE+ION'>PO4</scene></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=5j5g FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5j5g OCA], [~~http~~://pdbe.org/5j5g PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=5j5g RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/5j5g PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=5j5g 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=5j5g FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5j5g OCA], [https://pdbe.org/5j5g PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=5j5g RCSB], [https://www.ebi.ac.uk/pdbsum/5j5g PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=5j5g ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
-	[~~[http~~://www.uniprot.org/uniprot/ACHP_LYMST ACHP_LYMST]] Binds to acetylcholine. Modulates neuronal synaptic transmission.	+	[https://www.uniprot.org/uniprot/ACHP_LYMST ACHP_LYMST] Binds to acetylcholine. Modulates neuronal synaptic transmission.
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
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	</StructureSection>		</StructureSection>
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: ~~Harel, M~~]]	+	[[Category: Lymnaea stagnalis]]
-	[[Category: ~~Hernandez, A G.~~Camacho]]	+	[[Category: Camacho Hernandez AG]]
-	[[Category: ~~Kaczanowska, K~~]]	+	[[Category: Harel M]]
-	[[Category: ~~Taylor, P~~]]	+	[[Category: Kaczanowska K]]
-	[[Category: ~~Acetylcholine-binding protein~~]]	+	[[Category: Taylor P]]

OCA at 07:30, 10 June 2020

2020-06-10T07:30:24Z

←Older revision		Revision as of 07:30, 10 June 2020
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	==X-Ray Crystal Structure of Acetylcholine Binding Protein (AChBP) in Complex with 6-(4-methoxyphenyl)-N4,N4-bis[(pyridin-2-yl)methyl]pyrimidine-2,4-diamine==		==X-Ray Crystal Structure of Acetylcholine Binding Protein (AChBP) in Complex with 6-(4-methoxyphenyl)-N4,N4-bis[(pyridin-2-yl)methyl]pyrimidine-2,4-diamine==
-	<StructureSection load='5j5g' size='340' side='right' caption='[[5j5g]], [[Resolution\|resolution]] 2.04Å' scene=''>	+	<StructureSection load='5j5g' size='340' side='right'caption='[[5j5g]], [[Resolution\|resolution]] 2.04Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[5j5g]] is a 10 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5J5G OCA]. For a <b>guided tour on the structure components</b> use [http://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=5J5G FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[5j5g]] is a 10 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5J5G OCA]. For a <b>guided tour on the structure components</b> use [http://proteopedia.org/fgij/fg.htm?mol=5J5G FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=6GF:6-(4-METHOXYPHENYL)-N~4~,N~4~-BIS[(PYRIDIN-2-YL)METHYL]PYRIMIDINE-2,4-DIAMINE'>6GF</scene>, <scene name='pdbligand=NAG:N-ACETYL-D-GLUCOSAMINE'>NAG</scene>, <scene name='pdbligand=PO4:PHOSPHATE+ION'>PO4</scene></td></tr>	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=6GF:6-(4-METHOXYPHENYL)-N~4~,N~4~-BIS[(PYRIDIN-2-YL)METHYL]PYRIMIDINE-2,4-DIAMINE'>6GF</scene>, <scene name='pdbligand=NAG:N-ACETYL-D-GLUCOSAMINE'>NAG</scene>, <scene name='pdbligand=PO4:PHOSPHATE+ION'>PO4</scene></td></tr>
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4qaa\|4qaa]], [[4qab\|4qab]], [[4qac\|4qac]], [[5j5f\|5j5f]], [[5j5h\|5j5h]], [[5j5i\|5j5i]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4qaa\|4qaa]], [[4qab\|4qab]], [[4qac\|4qac]], [[5j5f\|5j5f]], [[5j5h\|5j5h]], [[5j5i\|5j5i]]</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=5j5g FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5j5g OCA], [http://pdbe.org/5j5g PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5j5g RCSB], [http://www.ebi.ac.uk/pdbsum/5j5g PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5j5g 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=5j5g FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5j5g OCA], [http://pdbe.org/5j5g PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5j5g RCSB], [http://www.ebi.ac.uk/pdbsum/5j5g PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5j5g ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
Line 19:		Line 19:
	</div>		</div>
	<div class="pdbe-citations 5j5g" style="background-color:#fffaf0;"></div>		<div class="pdbe-citations 5j5g" style="background-color:#fffaf0;"></div>
		+
		+	==See Also==
		+	*[[Acetylcholine binding protein 3D structures\|Acetylcholine binding protein 3D structures]]
	== References ==		== References ==
	<references/>		<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: Large Structures]]
	[[Category: Harel, M]]		[[Category: Harel, M]]
	[[Category: Hernandez, A G.Camacho]]		[[Category: Hernandez, A G.Camacho]]

OCA at 16:45, 9 March 2017

2017-03-09T16:45:31Z

←Older revision		Revision as of 16:45, 9 March 2017
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-	'''Unreleased structure'''

-	~~The entry~~ 5j5g is ~~ON HOLD until Paper~~ Publication	+	==X-Ray Crystal Structure of Acetylcholine Binding Protein (AChBP) in Complex with 6-(4-methoxyphenyl)-N4,N4-bis[(pyridin-2-yl)methyl]pyrimidine-2,4-diamine==
		+	<StructureSection load='5j5g' size='340' side='right' caption='[[5j5g]], [[Resolution\|resolution]] 2.04Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[5j5g]] is a 10 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5J5G OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5J5G FirstGlance]. <br>
		+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=6GF:6-(4-METHOXYPHENYL)-N~4~,N~4~-BIS[(PYRIDIN-2-YL)METHYL]PYRIMIDINE-2,4-DIAMINE'>6GF</scene>, <scene name='pdbligand=NAG:N-ACETYL-D-GLUCOSAMINE'>NAG</scene>, <scene name='pdbligand=PO4:PHOSPHATE+ION'>PO4</scene></td></tr>
		+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4qaa\|4qaa]], [[4qab\|4qab]], [[4qac\|4qac]], [[5j5f\|5j5f]], [[5j5h\|5j5h]], [[5j5i\|5j5i]]</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=5j5g FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5j5g OCA], [http://pdbe.org/5j5g PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5j5g RCSB], [http://www.ebi.ac.uk/pdbsum/5j5g PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5j5g ProSAT]</span></td></tr>
		+	</table>
		+	== Function ==
		+	[[http://www.uniprot.org/uniprot/ACHP_LYMST ACHP_LYMST]] Binds to acetylcholine. Modulates neuronal synaptic transmission.
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	Through studies with ligand binding to the acetylcholine binding protein (AChBP), we previously identified a series of 4,6-substituted 2-aminopyrimidines that associate with this soluble surrogate of the nicotinic acetylcholine receptor (nAChR) in a cooperative fashion, not seen for classical nicotinic agonists and antagonists. To examine receptor interactions of this structural family on ligand-gated ion channels, we employed HEK cells transfected with cDNAs encoding three requisite receptor subtypes: alpha7-nAChR, alpha4beta2-nAChR, and a serotonin receptor (5-HT3AR), along with a fluorescent reporter. Initial screening of a series of over 50 newly characterized 2-aminopyrimidines with affinity for AChBP showed only two to be agonists on the alpha7-nAChR below 10 muM concentration. Their unique structural features were incorporated into design of a second subset of 2-aminopyrimidines yielding several congeners that elicited alpha7 activation with EC50 values of 70 nM and Kd values for AChBP in a similar range. Several compounds within this series exhibit specificity for the alpha7-nAChR, showing no activation or antagonism of alpha4beta2-nAChR or 5-HT3AR at concentrations up to 10 muM, while others were weaker antagonists (or partial agonists) on these receptors. Analysis following cocrystallization of four ligand complexes with AChBP show binding at the subunit interface, but with an orientation or binding pose that differs from classical nicotinic agonists and antagonists and from the previously analyzed set of 2-aminopyrimidines that displayed distinct cooperative interactions with AChBP. Orientations of aromatic side chains of these complexes are distinctive, suggesting new modes of binding at the agonist-antagonist site and perhaps an allosteric action for heteromeric nAChRs.

-	~~Authors~~:	+	Substituted 2-Aminopyrimidines Selective for alpha7-Nicotinic Acetylcholine Receptor Activation and Association with Acetylcholine Binding Proteins.,Kaczanowska K, Camacho Hernandez GA, Bendiks L, Kohs L, Cornejo-Bravo JM, Harel M, Finn MG, Taylor P J Am Chem Soc. 2017 Mar 1. doi: 10.1021/jacs.6b10746. PMID:28221788<ref>PMID:28221788</ref>

-	~~Description~~:	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-	[[Category: ~~Unreleased Structures~~]]	+	</div>
		+	<div class="pdbe-citations 5j5g" style="background-color:#fffaf0;"></div>
		+	== References ==
		+	<references/>
		+	__TOC__
		+	</StructureSection>
		+	[[Category: Harel, M]]
		+	[[Category: Hernandez, A G.Camacho]]
		+	[[Category: Kaczanowska, K]]
		+	[[Category: Taylor, P]]
		+	[[Category: Acetylcholine-binding protein]]

OCA at 13:06, 9 September 2016

2016-09-09T13:06:44Z

←Older revision		Revision as of 13:06, 9 September 2016
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	'''Unreleased structure'''		'''Unreleased structure'''

-	The entry 5j5g is ON HOLD	+	The entry 5j5g is ON HOLD until Paper Publication

	Authors:		Authors:

OCA at 15:04, 15 May 2016

2016-05-15T15:04:28Z

←Older revision		Revision as of 15:04, 15 May 2016
Line 3:		Line 3:
	The entry 5j5g is ON HOLD		The entry 5j5g is ON HOLD

-	Authors: ~~Kaczanowska, K., Harel, M., Camacho Hernandez, A.G., Taylor, P.~~	+	Authors:

	Description:		Description:
	[[Category: Unreleased Structures]]		[[Category: Unreleased Structures]]
-	[[Category: Kaczanowska, K]]
-	[[Category: Taylor, P]]
-	[[Category: Harel, M]]
-	[[Category: Camacho Hernandez, A.G]]

OCA: Protected "5j5g" [edit=sysop:move=sysop]

2016-05-11T01:29:28Z

Protected "5j5g" [edit=sysop:move=sysop]

←Older revision

Revision as of 01:29, 11 May 2016

OCA: New page: '''Unreleased structure''' The entry 5j5g is ON HOLD Authors: Kaczanowska, K., Harel, M., Camacho Hernandez, A.G., Taylor, P. Description: Category: Unreleased Structures [[Catego...

2016-05-11T01:29:27Z

New page: '''Unreleased structure''' The entry 5j5g is ON HOLD Authors: Kaczanowska, K., Harel, M., Camacho Hernandez, A.G., Taylor, P. Description: Category: Unreleased Structures [[Catego...

New page

'''Unreleased structure'''

The entry 5j5g is ON HOLD

Authors: Kaczanowska, K., Harel, M., Camacho Hernandez, A.G., Taylor, P.

Description:
[[Category: Unreleased Structures]]
[[Category: Kaczanowska, K]]
[[Category: Taylor, P]]
[[Category: Harel, M]]
[[Category: Camacho Hernandez, A.G]]