6wv1 - Revision history

OCA at 14:37, 18 October 2023

OCA — Wed, 18 Oct 2023 14:37:11 GMT

←Older revision		Revision as of 14:37, 18 October 2023
Line 3:		Line 3:
	<StructureSection load='6wv1' size='340' side='right'caption='[[6wv1]], [[Resolution\|resolution]] 2.37Å' scene=''>		<StructureSection load='6wv1' size='340' side='right'caption='[[6wv1]], [[Resolution\|resolution]] 2.37Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[6wv1]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/~~Human Human~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6WV1 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=6WV1 FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[6wv1]] 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=6WV1 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=6WV1 FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=7PE:2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL'>7PE</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=UCJ:propan-2-yl+hydrogen+(S)-methylphosphonate'>UCJ</scene~~>, <scene name='pdbligand=FUC:ALPHA-L-FUCOSE'>FUC</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]] 2.372Å</td></tr>
-	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat"><div style='overflow: auto; max-height: 3em;'>[[6wuv\|6wuv]], [[6wuy\|6wuy]], [[6wuz\|6wuz]]</div></td></tr>	+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=7PE:2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL'>7PE</scene>, <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=UCJ:propan-2-yl+hydrogen+(S)-methylphosphonate'>UCJ</scene></td></tr>
-	~~<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">ACHE ([https://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'>[https://en.wikipedia.org/wiki/Acetylcholinesterase Acetylcholinesterase], with EC number [https://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'>[https://proteopedia.org/fgij/fg.htm?mol=6wv1 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6wv1 OCA], [https://pdbe.org/6wv1 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=6wv1 RCSB], [https://www.ebi.ac.uk/pdbsum/6wv1 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=6wv1 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=6wv1 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6wv1 OCA], [https://pdbe.org/6wv1 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=6wv1 RCSB], [https://www.ebi.ac.uk/pdbsum/6wv1 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=6wv1 ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
-	[[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>	+	[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: Height~~, J J~~]]	+	[[Category: Height JJ]]
-	[[Category: McGuire~~, J R~~]]	+	[[Category: McGuire JR]]
-	[[Category: Pegan~~, S D]]~~	+	[[Category: Pegan SD]]
-	~~[[Category: Ga]]~~	+
-	~~[[Category: Hydrolase]]~~	+
-	~~[[Category: Nerve agent]]~~	+
-	~~[[Category: Tabun~~]]	+

OCA at 10:43, 31 March 2021

OCA — Wed, 31 Mar 2021 10:43:39 GMT

←Older revision		Revision as of 10:43, 31 March 2021
Line 1:		Line 1:

	==Crystal Structure of Recombinant Human Acetylcholinesterase In Complex with GB and HI-6==		==Crystal Structure of Recombinant Human Acetylcholinesterase In Complex with GB and HI-6==
-	<StructureSection load='6wv1' size='340' side='right'caption='[[6wv1]]' scene=''>	+	<StructureSection load='6wv1' size='340' side='right'caption='[[6wv1]], [[Resolution\|resolution]] 2.37Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6WV1 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=6WV1 FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[6wv1]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Human Human]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6WV1 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=6WV1 FirstGlance]. <br>
-	</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=6wv1 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6wv1 OCA], [https://pdbe.org/6wv1 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=6wv1 RCSB], [https://www.ebi.ac.uk/pdbsum/6wv1 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=6wv1 ProSAT]</span></td></tr>	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=7PE:2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL'>7PE</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=UCJ:propan-2-yl+hydrogen+(S)-methylphosphonate'>UCJ</scene>, <scene name='pdbligand=FUC:ALPHA-L-FUCOSE'>FUC</scene></td></tr>
		+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat"><div style='overflow: auto; max-height: 3em;'>[[6wuv\|6wuv]], [[6wuy\|6wuy]], [[6wuz\|6wuz]]</div></td></tr>
		+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">ACHE ([https://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'>[https://en.wikipedia.org/wiki/Acetylcholinesterase Acetylcholinesterase], with EC number [https://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'>[https://proteopedia.org/fgij/fg.htm?mol=6wv1 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6wv1 OCA], [https://pdbe.org/6wv1 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=6wv1 RCSB], [https://www.ebi.ac.uk/pdbsum/6wv1 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=6wv1 ProSAT]</span></td></tr>
	</table>		</table>
		+	== Function ==
		+	[[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;">
		+	== Publication Abstract from PubMed ==
		+	The recent use of organophosphate nerve agents in Syria, Malaysia, Russia, and the United Kingdom has reinforced the potential threat of their intentional release. These agents act through their ability to inhibit human acetylcholinesterase (hAChE; E.C. 3.1.1.7), an enzyme vital for survival. The toxicity of hAChE inhibition via G-series nerve agents has been demonstrated to vary widely depending on the G-agent used. To gain insight into this issue, the structures of hAChE inhibited by tabun, sarin, cyclosarin, soman, and GP were obtained along with the inhibition kinetics for these agents. Through this information, the role of hAChE active site plasticity in agent selectivity is revealed. With reports indicating that the efficacy of reactivators can vary based on the nerve agent inhibiting hAChE, human recombinatorially expressed hAChE was utilized to define these variations for HI-6 among various G-agents. To identify the structural underpinnings of this phenomenon, the structures of tabun, sarin, and soman-inhibited hAChE in complex with HI-6 were determined. This revealed how the presence of G-agent adducts impacts reactivator access and placement within the active site. These insights will contribute toward a path of next-generation reactivators and an improved understanding of the innate issues with the current reactivators.
		+
		+	Structural and Biochemical Insights into the Inhibition of Human Acetylcholinesterase by G-Series Nerve Agents and Subsequent Reactivation by HI-6.,McGuire JR, Bester SM, Guelta MA, Cheung J, Langley C, Winemiller MD, Bae SY, Funk V, Myslinski JM, Pegan SD, Height JJ Chem Res Toxicol. 2021 Feb 4. doi: 10.1021/acs.chemrestox.0c00406. PMID:33538594<ref>PMID:33538594</ref>
		+
		+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
		+	</div>
		+	<div class="pdbe-citations 6wv1" style="background-color:#fffaf0;"></div>
		+
		+	==See Also==
		+	*[[Acetylcholinesterase 3D structures\|Acetylcholinesterase 3D structures]]
		+	== References ==
		+	<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: Acetylcholinesterase]]
		+	[[Category: Human]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: Bester SM]]	+	[[Category: Bester, S M]]
-	[[Category: Height JJ]]	+	[[Category: Height, J J]]
-	[[Category: McGuire JR]]	+	[[Category: McGuire, J R]]
-	[[Category: Pegan SD]]	+	[[Category: Pegan, S D]]
		+	[[Category: Ga]]
		+	[[Category: Hydrolase]]
		+	[[Category: Nerve agent]]
		+	[[Category: Tabun]]

OCA at 09:56, 17 February 2021

OCA — Wed, 17 Feb 2021 09:56:32 GMT

←Older revision		Revision as of 09:56, 17 February 2021
Line 1:		Line 1:
-	'''Unreleased structure'''

-	~~The entry~~ 6wv1 ~~is ON HOLD until Paper Publication~~	+	==Crystal Structure of Recombinant Human Acetylcholinesterase In Complex with GB and HI-6==
-		+	<StructureSection load='6wv1' size='340' side='right'caption='[[6wv1]]' scene=''>
-	~~Authors~~: ~~McGuire~~, J.R., ~~Bester~~, S.M., ~~Pegan, S~~.D., ~~Height, J~~.J.	+	== Structural highlights ==
-		+	<table><tr><td colspan='2'>Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6WV1 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=6WV1 FirstGlance]. <br>
-	~~Description: Crystal Structure of Recombinant Human Acetylcholinesterase In Complex with GB and HI-6~~	+	</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=6wv1 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6wv1 OCA], [https://pdbe.org/6wv1 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=6wv1 RCSB], [https://www.ebi.ac.uk/pdbsum/6wv1 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=6wv1 ProSAT]</span></td></tr>
-	[[Category: ~~Unreleased~~ Structures]]	+	</table>
-	[[Category: ~~Pegan, S.D~~]]	+	__TOC__
-	[[Category: ~~Bester, S.M~~]]	+	</StructureSection>
-	[[Category: ~~Height, J.J~~]]	+	[[Category: Large Structures]]
-	[[Category: ~~Mcguire, J.R~~]]	+	[[Category: Bester SM]]
		+	[[Category: Height JJ]]
		+	[[Category: McGuire JR]]
		+	[[Category: Pegan SD]]

OCA at 04:16, 20 May 2020

OCA — Wed, 20 May 2020 04:16:16 GMT

←Older revision		Revision as of 04:16, 20 May 2020
Line 1:		Line 1:
	'''Unreleased structure'''		'''Unreleased structure'''

-	The entry 6wv1 is ON HOLD	+	The entry 6wv1 is ON HOLD until Paper Publication

	Authors: McGuire, J.R., Bester, S.M., Pegan, S.D., Height, J.J.		Authors: McGuire, J.R., Bester, S.M., Pegan, S.D., Height, J.J.

OCA: Protected "6wv1" [edit=sysop:move=sysop]

OCA — Wed, 13 May 2020 04:10:33 GMT

Protected "6wv1" [edit=sysop:move=sysop]

←Older revision

Revision as of 04:10, 13 May 2020

OCA: New page: '''Unreleased structure''' The entry 6wv1 is ON HOLD Authors: McGuire, J.R., Bester, S.M., Pegan, S.D., Height, J.J. Description: Crystal Structure of Recombinant Human Acetylcholinest...

OCA — Wed, 13 May 2020 04:10:32 GMT

New page: '''Unreleased structure''' The entry 6wv1 is ON HOLD Authors: McGuire, J.R., Bester, S.M., Pegan, S.D., Height, J.J. Description: Crystal Structure of Recombinant Human Acetylcholinest...

New page

'''Unreleased structure'''

The entry 6wv1 is ON HOLD

Authors: McGuire, J.R., Bester, S.M., Pegan, S.D., Height, J.J.

Description: Crystal Structure of Recombinant Human Acetylcholinesterase In Complex with GB and HI-6
[[Category: Unreleased Structures]]
[[Category: Pegan, S.D]]
[[Category: Bester, S.M]]
[[Category: Height, J.J]]
[[Category: Mcguire, J.R]]