6cqy - Revision history

OCA at 15:09, 4 October 2023

OCA — Wed, 04 Oct 2023 15:09:51 GMT

←Older revision		Revision as of 15:09, 4 October 2023
Line 3:		Line 3:
	<StructureSection load='6cqy' size='340' side='right'caption='[[6cqy]], [[Resolution\|resolution]] 2.45Å' scene=''>		<StructureSection load='6cqy' size='340' side='right'caption='[[6cqy]], [[Resolution\|resolution]] 2.45Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[6cqy]] is a 2 chain structure with sequence from [~~http~~://en.wikipedia.org/wiki/~~Human Human~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6CQY OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=6CQY FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[6cqy]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6CQY OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=6CQY FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=FUC:ALPHA-L-FUCOSE'>FUC</scene>, <scene name='pdbligand=HI6:4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-1-YL}METHOXY)METHYL]PYRIDINIUM'>HI6</scene>, <scene name='pdbligand=NAG:N-ACETYL-D-GLUCOSAMINE'>NAG</scene>, <scene name='pdbligand=VX:O-ETHYLMETHYLPHOSPHONIC+ACID+ESTER+GROUP'>VX</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]] 2.449Å</td></tr>
-	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[6cqz\|6cqz]], [[6cqt\|6cqt]], [[6cqu\|6cqu]], [[6cqv\|6cqv]], [[6cqw\|6cqw]], [[6cqx\|6cqx]]</td></tr>	+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=FUC:ALPHA-L-FUCOSE'>FUC</scene>, <scene name='pdbligand=HI6:4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-1-YL}METHOXY)METHYL]PYRIDINIUM'>HI6</scene>, <scene name='pdbligand=NAG:N-ACETYL-D-GLUCOSAMINE'>NAG</scene>, <scene name='pdbligand=VX:O-ETHYLMETHYLPHOSPHONIC+ACID+ESTER+GROUP'>VX</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=9606 HUMAN])</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=6cqy FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6cqy OCA], [https://pdbe.org/6cqy PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=6cqy RCSB], [https://www.ebi.ac.uk/pdbsum/6cqy PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=6cqy 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~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=6cqy FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6cqy OCA], [~~http~~://pdbe.org/6cqy PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=6cqy RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/6cqy PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=6cqy ProSAT]</span></td></tr>	+
	</table>		</table>
	== Function ==		== Function ==
-	[~~[http~~://www.uniprot.org/uniprot/ACES_HUMAN ACES_HUMAN]] Terminates signal transduction at the neuromuscular junction by rapid hydrolysis of the acetylcholine released into the synaptic cleft. Role in neuronal apoptosis.<ref>PMID:2714437</ref> <ref>PMID:1748670</ref> <ref>PMID:1517212</ref> <ref>PMID:11985878</ref>	+	[https://www.uniprot.org/uniprot/ACES_HUMAN ACES_HUMAN] Terminates signal transduction at the neuromuscular junction by rapid hydrolysis of the acetylcholine released into the synaptic cleft. Role in neuronal apoptosis.<ref>PMID:2714437</ref> <ref>PMID:1748670</ref> <ref>PMID:1517212</ref> <ref>PMID:11985878</ref>
	<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: Homo sapiens]]
-	~~[[Category: Human~~]]	+
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: Bester~~, S M~~]]	+	[[Category: Bester SM]]
-	[[Category: Guelta~~, M A~~]]	+	[[Category: Guelta MA]]
-	[[Category: Height~~, J J~~]]	+	[[Category: Height JJ]]
-	[[Category: Pegan~~, S D]]~~	+	[[Category: Pegan SD]]
-	~~[[Category: Hydrolase]]~~	+
-	~~[[Category: Hydrolase cholinesterase~~]]	+

OCA at 06:59, 27 March 2019

OCA — Wed, 27 Mar 2019 06:59:43 GMT

←Older revision		Revision as of 06:59, 27 March 2019
Line 1:		Line 1:

	==Crystal Structure of Recombinant Human Acetylcholinesterase in Complex with EMPA and HI-6==		==Crystal Structure of Recombinant Human Acetylcholinesterase in Complex with EMPA and HI-6==
-	<StructureSection load='6cqy' size='340' side='right' caption='[[6cqy]], [[Resolution\|resolution]] 2.45Å' scene=''>	+	<StructureSection load='6cqy' size='340' side='right'caption='[[6cqy]], [[Resolution\|resolution]] 2.45Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[6cqy]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6CQY OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=6CQY FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[6cqy]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Human Human]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6CQY OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=6CQY FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=FUC:ALPHA-L-FUCOSE'>FUC</scene>, <scene name='pdbligand=HI6:4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-1-YL}METHOXY)METHYL]PYRIDINIUM'>HI6</scene>, <scene name='pdbligand=NAG:N-ACETYL-D-GLUCOSAMINE'>NAG</scene>, <scene name='pdbligand=VX:O-ETHYLMETHYLPHOSPHONIC+ACID+ESTER+GROUP'>VX</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=FUC:ALPHA-L-FUCOSE'>FUC</scene>, <scene name='pdbligand=HI6:4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-1-YL}METHOXY)METHYL]PYRIDINIUM'>HI6</scene>, <scene name='pdbligand=NAG:N-ACETYL-D-GLUCOSAMINE'>NAG</scene>, <scene name='pdbligand=VX:O-ETHYLMETHYLPHOSPHONIC+ACID+ESTER+GROUP'>VX</scene></td></tr>
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[6cqz\|6cqz]], [[6cqt\|6cqt]], [[6cqu\|6cqu]], [[6cqv\|6cqv]], [[6cqw\|6cqw]], [[6cqx\|6cqx]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[6cqz\|6cqz]], [[6cqt\|6cqt]], [[6cqu\|6cqu]], [[6cqv\|6cqv]], [[6cqw\|6cqw]], [[6cqx\|6cqx]]</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=9606 HUMAN])</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=6cqy FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6cqy OCA], [http://pdbe.org/6cqy PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6cqy RCSB], [http://www.ebi.ac.uk/pdbsum/6cqy PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6cqy ProSAT]</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=6cqy FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6cqy OCA], [http://pdbe.org/6cqy PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6cqy RCSB], [http://www.ebi.ac.uk/pdbsum/6cqy PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6cqy ProSAT]</span></td></tr>
Line 20:		Line 21:
	</div>		</div>
	<div class="pdbe-citations 6cqy" style="background-color:#fffaf0;"></div>		<div class="pdbe-citations 6cqy" 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: Human]]
		+	[[Category: Large Structures]]
	[[Category: Bester, S M]]		[[Category: Bester, S M]]
	[[Category: Guelta, M A]]		[[Category: Guelta, M A]]

OCA at 06:34, 5 December 2018

OCA — Wed, 05 Dec 2018 06:34:12 GMT

←Older revision		Revision as of 06:34, 5 December 2018
Line 1:		Line 1:
-	'''Unreleased structure'''

-	~~The entry~~ 6cqy is ~~ON HOLD~~ ~~until Paper~~ Publication	+	==Crystal Structure of Recombinant Human Acetylcholinesterase in Complex with EMPA and HI-6==
		+	<StructureSection load='6cqy' size='340' side='right' caption='[[6cqy]], [[Resolution\|resolution]] 2.45Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[6cqy]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6CQY OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=6CQY FirstGlance]. <br>
		+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=FUC:ALPHA-L-FUCOSE'>FUC</scene>, <scene name='pdbligand=HI6:4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-1-YL}METHOXY)METHYL]PYRIDINIUM'>HI6</scene>, <scene name='pdbligand=NAG:N-ACETYL-D-GLUCOSAMINE'>NAG</scene>, <scene name='pdbligand=VX:O-ETHYLMETHYLPHOSPHONIC+ACID+ESTER+GROUP'>VX</scene></td></tr>
		+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[6cqz\|6cqz]], [[6cqt\|6cqt]], [[6cqu\|6cqu]], [[6cqv\|6cqv]], [[6cqw\|6cqw]], [[6cqx\|6cqx]]</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=6cqy FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6cqy OCA], [http://pdbe.org/6cqy PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6cqy RCSB], [http://www.ebi.ac.uk/pdbsum/6cqy PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6cqy ProSAT]</span></td></tr>
		+	</table>
		+	== Function ==
		+	[[http://www.uniprot.org/uniprot/ACES_HUMAN ACES_HUMAN]] Terminates signal transduction at the neuromuscular junction by rapid hydrolysis of the acetylcholine released into the synaptic cleft. Role in neuronal apoptosis.<ref>PMID:2714437</ref> <ref>PMID:1748670</ref> <ref>PMID:1517212</ref> <ref>PMID:11985878</ref>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	Over 50 years ago, the toxicity of irreversible organophosphate inhibitors targeting human acetylcholinesterase (hAChE) were observed to be stereospecific. The therapeutic reversal of hAChE inhibition by reactivators has also been shown to depend on the stereochemistry of the inhibitor. To gain clarity on the mechanism of stereospecific inhibition, the X-ray crystallographic structures hAChE inhibited by a racemic mixture of VX (PR/S) and its enantiomers were obtained. Beyond identifying hAChE structural features that lend themselves to stereospecific inhibition, structures of the reactivator HI-6 bound to hAChEs inhibited by VX enantiomers of varying toxicity, or in its uninhibited state, were obtained. Comparison of hAChE in these pre-reactivation and post-reactivation states along with enzymatic data reveals the potential influence of unproductive reactivator poses on the efficacy of these types of therapeutics. The recognition of structural features related to hAChE's stereospecificity towards VX shed light on the molecular influences of toxicity and their effect on reactivators. In addition to providing a better understanding of the innate issues with current reactivators, an avenue for improvement of reactivators is envisioned.

-	~~Authors: Bester, S.M~~., Guelta, ~~M.A.~~, Pegan, S.D.~~, Height, J~~.J.	+	Structural insights of stereospecific inhibition of human acetylcholinesterase by VX and subsequent reactivation by HI-6.,Bester SM, Guelta MA, Cheung J, Winemiller MD, Bae SY, Myslinski J, Pegan SD, Height JJ Chem Res Toxicol. 2018 Nov 21. doi: 10.1021/acs.chemrestox.8b00294. PMID:30462502<ref>PMID:30462502</ref>

-	~~Description: Crystal Structure~~ of ~~Recombinant Human Acetylcholinesterase in Complex with EMPA and HI~~-6	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-	[[Category: ~~Unreleased Structures~~]]	+	</div>
-	[[Category: Guelta, M.A]]	+	<div class="pdbe-citations 6cqy" style="background-color:#fffaf0;"></div>
-	[[Category: Pegan, S.D]]	+	== References ==
-	[[Category: ~~Bester, S.M~~]]	+	<references/>
-	[[Category: ~~Height, J.J~~]]	+	__TOC__
		+	</StructureSection>
		+	[[Category: Acetylcholinesterase]]
		+	[[Category: Bester, S M]]
		+	[[Category: Guelta, M A]]
		+	[[Category: Height, J J]]
		+	[[Category: Pegan, S D]]
		+	[[Category: Hydrolase]]
		+	[[Category: Hydrolase cholinesterase]]

OCA at 04:09, 18 April 2018

OCA — Wed, 18 Apr 2018 04:09:50 GMT

←Older revision		Revision as of 04:09, 18 April 2018
Line 1:		Line 1:
	'''Unreleased structure'''		'''Unreleased structure'''

-	The entry 6cqy is ON HOLD	+	The entry 6cqy is ON HOLD until Paper Publication

	Authors: Bester, S.M., Guelta, M.A., Pegan, S.D., Height, J.J.		Authors: Bester, S.M., Guelta, M.A., Pegan, S.D., Height, J.J.

OCA: Protected "6cqy" [edit=sysop:move=sysop]

OCA — Wed, 28 Mar 2018 05:17:56 GMT

Protected "6cqy" [edit=sysop:move=sysop]

←Older revision

Revision as of 05:17, 28 March 2018

OCA: New page: '''Unreleased structure''' The entry 6cqy is ON HOLD Authors: Bester, S.M., Guelta, M.A., Pegan, S.D., Height, J.J. Description: Crystal Structure of Recombinant Human Acetylcholineste...

OCA — Wed, 28 Mar 2018 05:17:55 GMT

New page: '''Unreleased structure''' The entry 6cqy is ON HOLD Authors: Bester, S.M., Guelta, M.A., Pegan, S.D., Height, J.J. Description: Crystal Structure of Recombinant Human Acetylcholineste...

New page

'''Unreleased structure'''

The entry 6cqy is ON HOLD

Authors: Bester, S.M., Guelta, M.A., Pegan, S.D., Height, J.J.

Description: Crystal Structure of Recombinant Human Acetylcholinesterase in Complex with EMPA and HI-6
[[Category: Unreleased Structures]]
[[Category: Guelta, M.A]]
[[Category: Pegan, S.D]]
[[Category: Bester, S.M]]
[[Category: Height, J.J]]