5ehz - Revision history

OCA at 06:28, 5 July 2023

OCA — Wed, 05 Jul 2023 06:28:50 GMT

←Older revision		Revision as of 06:28, 5 July 2023
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	<StructureSection load='5ehz' size='340' side='right'caption='[[5ehz]], [[Resolution\|resolution]] 2.50Å' scene=''>		<StructureSection load='5ehz' size='340' side='right'caption='[[5ehz]], [[Resolution\|resolution]] 2.50Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[5ehz]] 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=5EHZ OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://proteopedia.org/fgij/fg.htm?mol=5EHZ FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[5ehz]] 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=5EHZ OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=5EHZ FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=5NZ:6-PHENYL-5-[5-[3-[2-(1,2,3,4-TETRAHYDROACRIDIN-9-YLAMINO)ETHYL]-1,2,3-TRIAZOL-4-YL]PENTYL]PHENANTHRIDIN-5-IUM-3,8-DIAMINE'>5NZ</scene>, <scene name='pdbligand=NAG:N-ACETYL-D-GLUCOSAMINE'>NAG</scene>, <scene name='pdbligand=P6G:HEXAETHYLENE+GLYCOL'>P6G</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]] 2.5Å</td></tr>
-	~~<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[5ehn\|5ehn]]</td></tr>~~	+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=5NZ:6-PHENYL-5-[5-[3-[2-(1,2,3,4-TETRAHYDROACRIDIN-9-YLAMINO)ETHYL]-1,2,3-TRIAZOL-4-YL]PENTYL]PHENANTHRIDIN-5-IUM-3,8-DIAMINE'>5NZ</scene>, <scene name='pdbligand=NAG:N-ACETYL-D-GLUCOSAMINE'>NAG</scene>, <scene name='pdbligand=P6G:HEXAETHYLENE+GLYCOL'>P6G</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=5ehz FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5ehz OCA], [https://pdbe.org/5ehz PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=5ehz RCSB], [https://www.ebi.ac.uk/pdbsum/5ehz PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=5ehz 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=5ehz FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5ehz OCA], [~~http~~://pdbe.org/5ehz PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=5ehz RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/5ehz PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=5ehz 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 ==
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	__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: Triazole~~]]	+

OCA at 06:59, 22 April 2020

OCA — Wed, 22 Apr 2020 06:59:05 GMT

←Older revision		Revision as of 06:59, 22 April 2020
Line 1:		Line 1:

	==mAChE-syn TZ2PA5 complex from an equimolar mixture of the syn/anti isomers==		==mAChE-syn TZ2PA5 complex from an equimolar mixture of the syn/anti isomers==
-	<StructureSection load='5ehz' size='340' side='right' caption='[[5ehz]], [[Resolution\|resolution]] 2.50Å' scene=''>	+	<StructureSection load='5ehz' size='340' side='right'caption='[[5ehz]], [[Resolution\|resolution]] 2.50Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[5ehz]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5EHZ OCA]. For a <b>guided tour on the structure components</b> use [http://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=5EHZ FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[5ehz]] 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=5EHZ OCA]. For a <b>guided tour on the structure components</b> use [http://proteopedia.org/fgij/fg.htm?mol=5EHZ FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=5NZ:6-PHENYL-5-[5-[3-[2-(1,2,3,4-TETRAHYDROACRIDIN-9-YLAMINO)ETHYL]-1,2,3-TRIAZOL-4-YL]PENTYL]PHENANTHRIDIN-5-IUM-3,8-DIAMINE'>5NZ</scene>, <scene name='pdbligand=NAG:N-ACETYL-D-GLUCOSAMINE'>NAG</scene>, <scene name='pdbligand=P6G:HEXAETHYLENE+GLYCOL'>P6G</scene></td></tr>	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=5NZ:6-PHENYL-5-[5-[3-[2-(1,2,3,4-TETRAHYDROACRIDIN-9-YLAMINO)ETHYL]-1,2,3-TRIAZOL-4-YL]PENTYL]PHENANTHRIDIN-5-IUM-3,8-DIAMINE'>5NZ</scene>, <scene name='pdbligand=NAG:N-ACETYL-D-GLUCOSAMINE'>NAG</scene>, <scene name='pdbligand=P6G:HEXAETHYLENE+GLYCOL'>P6G</scene></td></tr>
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[5ehn\|5ehn]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[5ehn\|5ehn]]</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=5ehz FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5ehz OCA], [http://pdbe.org/5ehz PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5ehz RCSB], [http://www.ebi.ac.uk/pdbsum/5ehz 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=5ehz FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5ehz OCA], [http://pdbe.org/5ehz PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5ehz RCSB], [http://www.ebi.ac.uk/pdbsum/5ehz PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5ehz ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
Line 20:		Line 21:
	</div>		</div>
	<div class="pdbe-citations 5ehz" style="background-color:#fffaf0;"></div>		<div class="pdbe-citations 5ehz" 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 19:04, 20 February 2016

OCA — Sat, 20 Feb 2016 19:04:54 GMT

←Older revision		Revision as of 19:04, 20 February 2016
Line 1:		Line 1:
		+
	==mAChE-syn TZ2PA5 complex from an equimolar mixture of the syn/anti isomers==		==mAChE-syn TZ2PA5 complex from an equimolar mixture of the syn/anti isomers==
	<StructureSection load='5ehz' size='340' side='right' caption='[[5ehz]], [[Resolution\|resolution]] 2.50Å' scene=''>		<StructureSection load='5ehz' size='340' side='right' caption='[[5ehz]], [[Resolution\|resolution]] 2.50Å' scene=''>

OCA at 16:59, 20 January 2016

OCA — Wed, 20 Jan 2016 16:59:24 GMT

←Older revision		Revision as of 16:59, 20 January 2016
Line 1:		Line 1:
-	'''~~Unreleased~~ structure'''	+	==mAChE-syn TZ2PA5 complex from an equimolar mixture of the syn/anti isomers==
		+	<StructureSection load='5ehz' size='340' side='right' caption='[[5ehz]], [[Resolution\|resolution]] 2.50Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[5ehz]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5EHZ OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5EHZ FirstGlance]. <br>
		+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=5NZ:6-PHENYL-5-[5-[3-[2-(1,2,3,4-TETRAHYDROACRIDIN-9-YLAMINO)ETHYL]-1,2,3-TRIAZOL-4-YL]PENTYL]PHENANTHRIDIN-5-IUM-3,8-DIAMINE'>5NZ</scene>, <scene name='pdbligand=NAG:N-ACETYL-D-GLUCOSAMINE'>NAG</scene>, <scene name='pdbligand=P6G:HEXAETHYLENE+GLYCOL'>P6G</scene></td></tr>
		+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[5ehn\|5ehn]]</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=5ehz FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5ehz OCA], [http://pdbe.org/5ehz PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5ehz RCSB], [http://www.ebi.ac.uk/pdbsum/5ehz 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 5ehz 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~~-~~syn TZ2PA5 complex from an equimolar mixture of the syn~~/~~anti isomers~~	+	<div class="pdbe-citations 5ehz" 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: Triazole]]

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

OCA — Tue, 01 Dec 2015 02:52:05 GMT

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

←Older revision

Revision as of 02:52, 1 December 2015

OCA: New page: '''Unreleased structure''' The entry 5ehz is ON HOLD until Paper Publication Authors: Bourne, Y., Marchot, P. Description: mAChE-syn TZ2PA5 complex from an equimolar mixture of the syn...

OCA — Tue, 01 Dec 2015 02:52:04 GMT

New page: '''Unreleased structure''' The entry 5ehz is ON HOLD until Paper Publication Authors: Bourne, Y., Marchot, P. Description: mAChE-syn TZ2PA5 complex from an equimolar mixture of the syn...

New page

'''Unreleased structure'''

The entry 5ehz is ON HOLD until Paper Publication

Authors: Bourne, Y., Marchot, P.

Description: mAChE-syn TZ2PA5 complex from an equimolar mixture of the syn/anti isomers
[[Category: Unreleased Structures]]
[[Category: Bourne, Y]]
[[Category: Marchot, P]]