5eih - Revision history

OCA at 06:29, 5 July 2023

2023-07-05T06:29:27Z

←Older revision		Revision as of 06:29, 5 July 2023
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	<StructureSection load='5eih' size='340' side='right'caption='[[5eih]], [[Resolution\|resolution]] 2.70Å' scene=''>		<StructureSection load='5eih' size='340' side='right'caption='[[5eih]], [[Resolution\|resolution]] 2.70Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[5eih]] is a 2 chain structure with sequence from [~~http~~://en.wikipedia.org/wiki/~~Lk3_transgenic_mice Lk3 transgenic mice~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5EIH OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://proteopedia.org/fgij/fg.htm?mol=5EIH FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[5eih]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Mus_musculus Mus musculus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5EIH OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=5EIH FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=ACT:ACETATE+ION'>ACT</scene>, <scene name='pdbligand=P6G:HEXAETHYLENE+GLYCOL'>P6G</scene>, <scene name='pdbligand=PZ5:5-HEPT-6-YNYL-6-PHENYL-PHENANTHRIDIN-5-IUM-3,8-DIAMINE'>PZ5</scene>, <scene name='pdbligand=TZ2:~{N}-(2-AZIDOETHYL)-1,2,3,4-TETRAHYDROACRIDIN-9-AMINE'>TZ2</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">[[5eie\|5eie]]</td></tr>~~	+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=ACT:ACETATE+ION'>ACT</scene>, <scene name='pdbligand=P6G:HEXAETHYLENE+GLYCOL'>P6G</scene>, <scene name='pdbligand=PZ5:5-HEPT-6-YNYL-6-PHENYL-PHENANTHRIDIN-5-IUM-3,8-DIAMINE'>PZ5</scene>, <scene name='pdbligand=TZ2:~{N}-(2-AZIDOETHYL)-1,2,3,4-TETRAHYDROACRIDIN-9-AMINE'>TZ2</scene></td></tr>
-	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">Ache ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=10090 LK3 transgenic mice])</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=5eih FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5eih OCA], [https://pdbe.org/5eih PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=5eih RCSB], [https://www.ebi.ac.uk/pdbsum/5eih PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=5eih ProSAT]</span></td></tr>
-	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Acetylcholinesterase Acetylcholinesterase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.1.1.7 3.1.1.7] </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=5eih FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5eih OCA], [~~http~~://pdbe.org/5eih PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=5eih RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/5eih PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=5eih ProSAT]</span></td></tr>	+
	</table>		</table>
	== Function ==		== Function ==
-	[~~[http~~://www.uniprot.org/uniprot/ACES_MOUSE ACES_MOUSE]] Terminates signal transduction at the neuromuscular junction by rapid hydrolysis of the acetylcholine released into the synaptic cleft.	+	[https://www.uniprot.org/uniprot/ACES_MOUSE ACES_MOUSE] Terminates signal transduction at the neuromuscular junction by rapid hydrolysis of the acetylcholine released into the synaptic cleft.
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
Line 28:		Line 26:
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: Acetylcholinesterase]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: ~~Lk3 transgenic mice~~]]	+	[[Category: Mus musculus]]
-	[[Category: Bourne, Y]]	+	[[Category: Bourne Y]]
-	[[Category: Marchot, P]]	+	[[Category: Marchot P]]
-	~~[[Category: Click chemistry]]~~	+
-	~~[[Category: Hydrolase]]~~	+
-	~~[[Category: Inhibitor]]~~	+
-	~~[[Category: Peripheral anionic site~~]]	+

OCA at 06:59, 22 April 2020

2020-04-22T06:59:38Z

←Older revision		Revision as of 06:59, 22 April 2020
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	==mAChE-TZ2/PA5 complex==		==mAChE-TZ2/PA5 complex==
-	<StructureSection load='5eih' size='340' side='right' caption='[[5eih]], [[Resolution\|resolution]] 2.70Å' scene=''>	+	<StructureSection load='5eih' size='340' side='right'caption='[[5eih]], [[Resolution\|resolution]] 2.70Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[5eih]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5EIH OCA]. For a <b>guided tour on the structure components</b> use [http://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=5EIH FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[5eih]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Lk3_transgenic_mice Lk3 transgenic mice]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5EIH OCA]. For a <b>guided tour on the structure components</b> use [http://proteopedia.org/fgij/fg.htm?mol=5EIH FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=ACT:ACETATE+ION'>ACT</scene>, <scene name='pdbligand=P6G:HEXAETHYLENE+GLYCOL'>P6G</scene>, <scene name='pdbligand=PZ5:5-HEPT-6-YNYL-6-PHENYL-PHENANTHRIDIN-5-IUM-3,8-DIAMINE'>PZ5</scene>, <scene name='pdbligand=TZ2:~{N}-(2-AZIDOETHYL)-1,2,3,4-TETRAHYDROACRIDIN-9-AMINE'>TZ2</scene></td></tr>	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=ACT:ACETATE+ION'>ACT</scene>, <scene name='pdbligand=P6G:HEXAETHYLENE+GLYCOL'>P6G</scene>, <scene name='pdbligand=PZ5:5-HEPT-6-YNYL-6-PHENYL-PHENANTHRIDIN-5-IUM-3,8-DIAMINE'>PZ5</scene>, <scene name='pdbligand=TZ2:~{N}-(2-AZIDOETHYL)-1,2,3,4-TETRAHYDROACRIDIN-9-AMINE'>TZ2</scene></td></tr>
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[5eie\|5eie]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[5eie\|5eie]]</td></tr>
		+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">Ache ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=10090 LK3 transgenic mice])</td></tr>
	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Acetylcholinesterase Acetylcholinesterase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.1.1.7 3.1.1.7] </span></td></tr>		<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Acetylcholinesterase Acetylcholinesterase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.1.1.7 3.1.1.7] </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=5eih FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5eih OCA], [http://pdbe.org/5eih PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5eih RCSB], [http://www.ebi.ac.uk/pdbsum/5eih PDBsum]</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=5eih FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5eih OCA], [http://pdbe.org/5eih PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5eih RCSB], [http://www.ebi.ac.uk/pdbsum/5eih PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5eih ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
Line 20:		Line 21:
	</div>		</div>
	<div class="pdbe-citations 5eih" style="background-color:#fffaf0;"></div>		<div class="pdbe-citations 5eih" style="background-color:#fffaf0;"></div>
		+
		+	==See Also==
		+	*[[Acetylcholinesterase 3D structures\|Acetylcholinesterase 3D structures]]
	== References ==		== References ==
	<references/>		<references/>
Line 25:		Line 29:
	</StructureSection>		</StructureSection>
	[[Category: Acetylcholinesterase]]		[[Category: Acetylcholinesterase]]
		+	[[Category: Large Structures]]
		+	[[Category: Lk3 transgenic mice]]
	[[Category: Bourne, Y]]		[[Category: Bourne, Y]]
	[[Category: Marchot, P]]		[[Category: Marchot, P]]

OCA at 19:00, 20 February 2016

2016-02-20T19:00:20Z

←Older revision		Revision as of 19:00, 20 February 2016
Line 1:		Line 1:
		+
	==mAChE-TZ2/PA5 complex==		==mAChE-TZ2/PA5 complex==
	<StructureSection load='5eih' size='340' side='right' caption='[[5eih]], [[Resolution\|resolution]] 2.70Å' scene=''>		<StructureSection load='5eih' size='340' side='right' caption='[[5eih]], [[Resolution\|resolution]] 2.70Å' scene=''>

OCA at 16:56, 20 January 2016

2016-01-20T16:56:51Z

←Older revision		Revision as of 16:56, 20 January 2016
Line 1:		Line 1:
-	'''~~Unreleased~~ structure'''	+	==mAChE-TZ2/PA5 complex==
		+	<StructureSection load='5eih' size='340' side='right' caption='[[5eih]], [[Resolution\|resolution]] 2.70Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[5eih]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5EIH OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5EIH FirstGlance]. <br>
		+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=ACT:ACETATE+ION'>ACT</scene>, <scene name='pdbligand=P6G:HEXAETHYLENE+GLYCOL'>P6G</scene>, <scene name='pdbligand=PZ5:5-HEPT-6-YNYL-6-PHENYL-PHENANTHRIDIN-5-IUM-3,8-DIAMINE'>PZ5</scene>, <scene name='pdbligand=TZ2:~{N}-(2-AZIDOETHYL)-1,2,3,4-TETRAHYDROACRIDIN-9-AMINE'>TZ2</scene></td></tr>
		+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[5eie\|5eie]]</td></tr>
		+	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Acetylcholinesterase Acetylcholinesterase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.1.1.7 3.1.1.7] </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=5eih FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5eih OCA], [http://pdbe.org/5eih PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5eih RCSB], [http://www.ebi.ac.uk/pdbsum/5eih PDBsum]</span></td></tr>
		+	</table>
		+	== Function ==
		+	[[http://www.uniprot.org/uniprot/ACES_MOUSE ACES_MOUSE]] Terminates signal transduction at the neuromuscular junction by rapid hydrolysis of the acetylcholine released into the synaptic cleft.
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	Ligand binding sites on acetylcholinesterase (AChE) comprise an active center, at the base of a deep and narrow gorge lined by aromatic residues, and a peripheral site at the gorge entry. These features launched AChE as a reaction vessel for in situ click-chemistry synthesis of high-affinity TZ2PA6 and TZ2PA5 inhibitors, forming a syn-triazole upon cycloaddition within the gorge from alkyne and azide reactants bound at the two sites, respectively. Subsequent crystallographic analyses of AChE complexes with the TZ2PA6 regioisomers demonstrated that syn product association is accompanied by side chain reorganization within the gorge, freezing-in-frame a conformation distinct from an unbound state or anti complex. To correlate inhibitor dimensions with reactivity and explore whether in situ cycloaddition could be accelerated in a concentrated, crystalline template, we developed crystal-soaking procedures and solved structures of AChE complexes with the TZ2PA5 regioisomers and their TZ2/PA5 precursors (2.1-2.7 A resolution). The structures evidence motions of residue His447 in the active site and, unprecedentedly, residue Tyr341 at the gorge mouth, associated with TZ2 binding and coordinated with other side chain motions in the gorge that guide AChE toward a transient state favoring syn-triazole formation. Despite precursor binding to crystalline AChE, coupling of rapid electric field fluctuations in the gorge with proper alignments of the azide and alkyne reactants to form the triazole remains a likely limiting step. These observations point to a prime requirement for AChE to interconvert dynamically between sequential conformations to promote favorable electrostatic factors enabling a productive apposition of the reactants for reactivity.

-	~~The entry 5eih is ON HOLD until Paper Publication~~	+	Steric and dynamic parameters influencing in situ cycloadditions to form triazole inhibitors with crystalline acetylcholinesterase.,Bourne Y, Sharpless KB, Taylor P, Marchot P J Am Chem Soc. 2016 Jan 5. PMID:26731630<ref>PMID:26731630</ref>

-	~~Authors: Bourne~~, Y.~~, Marchot, P~~.	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-		+	</div>
-	~~Description: mAChE~~-~~TZ2~~/~~PA5 complex~~	+	<div class="pdbe-citations 5eih" style="background-color:#fffaf0;"></div>
-	[[Category: ~~Unreleased Structures~~]]	+	== References ==
		+	<references/>
		+	__TOC__
		+	</StructureSection>
		+	[[Category: Acetylcholinesterase]]
	[[Category: Bourne, Y]]		[[Category: Bourne, Y]]
	[[Category: Marchot, P]]		[[Category: Marchot, P]]
		+	[[Category: Click chemistry]]
		+	[[Category: Hydrolase]]
		+	[[Category: Inhibitor]]
		+	[[Category: Peripheral anionic site]]

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

2015-12-01T02:52:53Z

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

←Older revision

Revision as of 02:52, 1 December 2015

OCA: New page: '''Unreleased structure''' The entry 5eih is ON HOLD until Paper Publication Authors: Bourne, Y., Marchot, P. Description: mAChE-TZ2/PA5 complex Category: Unreleased Structures [[C...

2015-12-01T02:52:52Z

New page: '''Unreleased structure''' The entry 5eih is ON HOLD until Paper Publication Authors: Bourne, Y., Marchot, P. Description: mAChE-TZ2/PA5 complex Category: Unreleased Structures [[C...

New page

'''Unreleased structure'''

The entry 5eih is ON HOLD until Paper Publication

Authors: Bourne, Y., Marchot, P.

Description: mAChE-TZ2/PA5 complex
[[Category: Unreleased Structures]]
[[Category: Bourne, Y]]
[[Category: Marchot, P]]