6ary - Revision history

OCA at 14:23, 4 October 2023

2023-10-04T14:23:51Z

←Older revision		Revision as of 14:23, 4 October 2023
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	<StructureSection load='6ary' size='340' side='right'caption='[[6ary]], [[Resolution\|resolution]] 2.26Å' scene=''>		<StructureSection load='6ary' size='340' side='right'caption='[[6ary]], [[Resolution\|resolution]] 2.26Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[6ary]] is a 2 chain structure with sequence from [~~http~~://en.wikipedia.org/wiki/~~Anoga Anoga~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6ARY OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://proteopedia.org/fgij/fg.htm?mol=6ARY FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[6ary]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Anopheles_gambiae Anopheles gambiae]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6ARY OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=6ARY FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=BT7:(1S)-2,2-difluoro-1-[1-(pentan-3-yl)-1H-pyrazol-4-yl]ethan-1-ol'>BT7</scene>, <scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene>, <scene name='pdbligand=FLC:CITRATE+ANION'>FLC</scene>, <scene name='pdbligand=NAG:N-ACETYL-D-GLUCOSAMINE'>NAG</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]] 2.257Å</td></tr>
-	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">Ace, ACE1, ACHE1, AGAP001356 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=7165 ANOGA])</td></tr>	+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=BT7:(1S)-2,2-difluoro-1-[1-(pentan-3-yl)-1H-pyrazol-4-yl]ethan-1-ol'>BT7</scene>, <scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene>, <scene name='pdbligand=FLC:CITRATE+ANION'>FLC</scene>, <scene name='pdbligand=NAG:N-ACETYL-D-GLUCOSAMINE'>NAG</scene></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'>[https://proteopedia.org/fgij/fg.htm?mol=6ary FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6ary OCA], [https://pdbe.org/6ary PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=6ary RCSB], [https://www.ebi.ac.uk/pdbsum/6ary PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=6ary 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=6ary FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6ary OCA], [~~http~~://pdbe.org/6ary PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=6ary RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/6ary PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=6ary ProSAT]</span></td></tr>	+
	</table>		</table>
	== Function ==		== Function ==
-	[~~[http~~://www.uniprot.org/uniprot/ACES_ANOGA ACES_ANOGA]] Rapidly hydrolyzes choline released into the synapse.	+	[https://www.uniprot.org/uniprot/ACES_ANOGA ACES_ANOGA] Rapidly hydrolyzes choline released into the synapse.
	<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: Anopheles gambiae]]
-	~~[[Category: Anoga~~]]	+
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: Carlier~~, P R~~]]	+	[[Category: Carlier PR]]
-	[[Category: Cheung, J]]	+	[[Category: Cheung J]]
-	[[Category: Kalathur, R]]	+	[[Category: Kalathur R]]
-	[[Category: Lixuan, L]]	+	[[Category: Lixuan L]]
-	[[Category: Mahmood, A]]	+	[[Category: Mahmood A]]
-	~~[[Category: Difluoromethyl ketone]]~~	+
-	~~[[Category: Hydrolase]]~~	+
-	~~[[Category: Hydrolase-hydrolase inhibitor complex~~]]	+

OCA at 21:31, 28 October 2020

2020-10-28T21:31:34Z

←Older revision		Revision as of 21:31, 28 October 2020
Line 1:		Line 1:

	==Crystal structure of an insecticide-resistant acetylcholinesterase mutant from the malaria vector Anopheles gambiae in complex with a difluoromethyl ketone inhibitor==		==Crystal structure of an insecticide-resistant acetylcholinesterase mutant from the malaria vector Anopheles gambiae in complex with a difluoromethyl ketone inhibitor==
-	<StructureSection load='6ary' size='340' side='right' caption='[[6ary]], [[Resolution\|resolution]] 2.26Å' scene=''>	+	<StructureSection load='6ary' size='340' side='right'caption='[[6ary]], [[Resolution\|resolution]] 2.26Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[6ary]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6ARY OCA]. For a <b>guided tour on the structure components</b> use [http://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=6ARY FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[6ary]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Anoga Anoga]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6ARY OCA]. For a <b>guided tour on the structure components</b> use [http://proteopedia.org/fgij/fg.htm?mol=6ARY FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=BT7:(1S)-2,2-difluoro-1-[1-(pentan-3-yl)-1H-pyrazol-4-yl]ethan-1-ol'>BT7</scene>, <scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene>, <scene name='pdbligand=FLC:CITRATE+ANION'>FLC</scene>, <scene name='pdbligand=NAG:N-ACETYL-D-GLUCOSAMINE'>NAG</scene></td></tr>	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=BT7:(1S)-2,2-difluoro-1-[1-(pentan-3-yl)-1H-pyrazol-4-yl]ethan-1-ol'>BT7</scene>, <scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene>, <scene name='pdbligand=FLC:CITRATE+ANION'>FLC</scene>, <scene name='pdbligand=NAG:N-ACETYL-D-GLUCOSAMINE'>NAG</scene></td></tr>
		+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">Ace, ACE1, ACHE1, AGAP001356 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=7165 ANOGA])</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=6ary FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6ary OCA], [http://pdbe.org/6ary PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6ary RCSB], [http://www.ebi.ac.uk/pdbsum/6ary PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6ary 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=6ary FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6ary OCA], [http://pdbe.org/6ary PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6ary RCSB], [http://www.ebi.ac.uk/pdbsum/6ary PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6ary ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
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	</div>		</div>
	<div class="pdbe-citations 6ary" style="background-color:#fffaf0;"></div>		<div class="pdbe-citations 6ary" style="background-color:#fffaf0;"></div>
		+
		+	==See Also==
		+	*[[Acetylcholinesterase 3D structures\|Acetylcholinesterase 3D structures]]
	== References ==		== References ==
	<references/>		<references/>
Line 24:		Line 28:
	</StructureSection>		</StructureSection>
	[[Category: Acetylcholinesterase]]		[[Category: Acetylcholinesterase]]
		+	[[Category: Anoga]]
		+	[[Category: Large Structures]]
	[[Category: Carlier, P R]]		[[Category: Carlier, P R]]
	[[Category: Cheung, J]]		[[Category: Cheung, J]]

OCA at 08:30, 10 January 2018

2018-01-10T08:30:32Z

←Older revision		Revision as of 08:30, 10 January 2018
Line 1:		Line 1:
-	'''Unreleased structure'''

-	~~The entry~~ 6ary is ~~ON HOLD until Paper~~ Publication	+	==Crystal structure of an insecticide-resistant acetylcholinesterase mutant from the malaria vector Anopheles gambiae in complex with a difluoromethyl ketone inhibitor==
		+	<StructureSection load='6ary' size='340' side='right' caption='[[6ary]], [[Resolution\|resolution]] 2.26Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[6ary]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6ARY OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=6ARY FirstGlance]. <br>
		+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=BT7:(1S)-2,2-difluoro-1-[1-(pentan-3-yl)-1H-pyrazol-4-yl]ethan-1-ol'>BT7</scene>, <scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene>, <scene name='pdbligand=FLC:CITRATE+ANION'>FLC</scene>, <scene name='pdbligand=NAG:N-ACETYL-D-GLUCOSAMINE'>NAG</scene></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=6ary FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6ary OCA], [http://pdbe.org/6ary PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6ary RCSB], [http://www.ebi.ac.uk/pdbsum/6ary PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6ary ProSAT]</span></td></tr>
		+	</table>
		+	== Function ==
		+	[[http://www.uniprot.org/uniprot/ACES_ANOGA ACES_ANOGA]] Rapidly hydrolyzes choline released into the synapse.
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	Malaria is a devastating disease in sub-Saharan Africa and is transmitted by the mosquito Anopheles gambiae. While indoor residual spraying of anticholinesterase insecticides has been useful in controlling the spread of malaria, widespread application of these compounds has led to the rise of an insecticide-resistant mosquito strain that harbors a G119S mutation in the nervous system target enzyme acetylcholinesterase. We demonstrate the atomic basis of insecticide resistance through structure determination of the G119S mutant acetylcholinesterase of An. gambiae in the ligand-free state and bound to a potent difluoromethyl ketone inhibitor. These structures reveal specific features within the active-site gorge distinct from human acetylcholinesterase, including an open channel at the base of the gorge, and provide a means for improving species selectivity in the rational design of improved insecticides for malaria vector control.

-	~~Authors: Cheung~~, J., Mahmood, A., Kalathur, R~~., Lixuan~~, L., Carlier~~, P~~.R.	+	Structure of the G119S Mutant Acetylcholinesterase of the Malaria Vector Anopheles gambiae Reveals Basis of Insecticide Resistance.,Cheung J, Mahmood A, Kalathur R, Liu L, Carlier PR Structure. 2018 Jan 2;26(1):130-136.e2. doi: 10.1016/j.str.2017.11.021. Epub 2017, Dec 21. PMID:29276037<ref>PMID:29276037</ref>

-	~~Description: Crystal structure~~ of ~~an insecticide-resistant acetylcholinesterase mutant from~~ the ~~malaria vector Anopheles gambiae in complex with a difluoromethyl ketone inhibitor~~	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-	[[Category: ~~Unreleased Structures~~]]	+	</div>
-	[[Category: Carlier, P.R]]	+	<div class="pdbe-citations 6ary" style="background-color:#fffaf0;"></div>
		+	== References ==
		+	<references/>
		+	__TOC__
		+	</StructureSection>
		+	[[Category: Acetylcholinesterase]]
		+	[[Category: Carlier, P R]]
		+	[[Category: Cheung, J]]
	[[Category: Kalathur, R]]		[[Category: Kalathur, R]]
	[[Category: Lixuan, L]]		[[Category: Lixuan, L]]
	[[Category: Mahmood, A]]		[[Category: Mahmood, A]]
-	[[Category: ~~Cheung, J~~]]	+	[[Category: Difluoromethyl ketone]]
		+	[[Category: Hydrolase]]
		+	[[Category: Hydrolase-hydrolase inhibitor complex]]

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

2017-09-27T16:43:38Z

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

←Older revision

Revision as of 16:43, 27 September 2017

OCA: New page: '''Unreleased structure''' The entry 6ary is ON HOLD until Paper Publication Authors: Cheung, J., Mahmood, A., Kalathur, R., Lixuan, L., Carlier, P.R. Description: Crystal structure of...

2017-09-27T16:43:37Z

New page: '''Unreleased structure''' The entry 6ary is ON HOLD until Paper Publication Authors: Cheung, J., Mahmood, A., Kalathur, R., Lixuan, L., Carlier, P.R. Description: Crystal structure of...

New page

'''Unreleased structure'''

The entry 6ary is ON HOLD until Paper Publication

Authors: Cheung, J., Mahmood, A., Kalathur, R., Lixuan, L., Carlier, P.R.

Description: Crystal structure of an insecticide-resistant acetylcholinesterase mutant from the malaria vector Anopheles gambiae in complex with a difluoromethyl ketone inhibitor
[[Category: Unreleased Structures]]
[[Category: Carlier, P.R]]
[[Category: Kalathur, R]]
[[Category: Lixuan, L]]
[[Category: Mahmood, A]]
[[Category: Cheung, J]]