6r6w - Revision history

OCA at 12:16, 24 January 2024

OCA — Wed, 24 Jan 2024 12:16:20 GMT

←Older revision		Revision as of 12:16, 24 January 2024
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	<StructureSection load='6r6w' size='340' side='right'caption='[[6r6w]], [[Resolution\|resolution]] 2.47Å' scene=''>		<StructureSection load='6r6w' size='340' side='right'caption='[[6r6w]], [[Resolution\|resolution]] 2.47Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[6r6w]] is a 1 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=6R6W OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=6R6W FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[6r6w]] is a 1 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=6R6W OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=6R6W FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=DMS:DIMETHYL+SULFOXIDE'>DMS</scene>, <scene name='pdbligand=FUC:ALPHA-L-FUCOSE'>FUC</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=JUB:[7-[4-[2-[naphthalen-2-ylsulfonyl-[[(3~{S})-1-(phenylmethyl)piperidin-1-ium-3-yl]methyl]amino]ethyl]piperazin-4-ium-1-yl]-2,1,3-benzoxadiazol-4-yl]-oxidanyl-oxidanylidene-azanium'>JUB</scene>, <scene name='pdbligand=NAG:N-ACETYL-D-GLUCOSAMINE'>NAG</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</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]] 2.474Å</td></tr>
-	~~<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">BCHE, CHE1 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 HUMAN])</td></tr>~~	+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=DMS:DIMETHYL+SULFOXIDE'>DMS</scene>, <scene name='pdbligand=FUC:ALPHA-L-FUCOSE'>FUC</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=JUB:[7-[4-[2-[naphthalen-2-ylsulfonyl-[[(3~{S})-1-(phenylmethyl)piperidin-1-ium-3-yl]methyl]amino]ethyl]piperazin-4-ium-1-yl]-2,1,3-benzoxadiazol-4-yl]-oxidanyl-oxidanylidene-azanium'>JUB</scene>, <scene name='pdbligand=NAG:N-ACETYL-D-GLUCOSAMINE'>NAG</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene></td></tr>
-	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Cholinesterase Cholinesterase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.1.1.8 3.1.1.8] </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=6r6w FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6r6w OCA], [https://pdbe.org/6r6w PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=6r6w RCSB], [https://www.ebi.ac.uk/pdbsum/6r6w PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=6r6w 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=6r6w FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6r6w OCA], [~~http~~://pdbe.org/6r6w PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=6r6w RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/6r6w PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=6r6w ProSAT]</span></td></tr>	+
	</table>		</table>
	== Disease ==		== Disease ==
-	[~~[http~~://www.uniprot.org/uniprot/CHLE_HUMAN CHLE_HUMAN]] Defects in BCHE are the cause of butyrylcholinesterase deficiency (BChE deficiency) [MIM:[~~http~~://omim.org/entry/177400 177400]]. BChE deficiency is a metabolic disorder characterized by prolonged apnoea after the use of certain anesthetic drugs, including the muscle relaxants succinylcholine or mivacurium and other ester local anesthetics. The duration of the prolonged apnoea varies significantly depending on the extent of the enzyme deficiency. BChE deficiency is a multifactorial disorder. The hereditary condition is transmitted as an autosomal recessive trait.	+	[https://www.uniprot.org/uniprot/CHLE_HUMAN CHLE_HUMAN] Defects in BCHE are the cause of butyrylcholinesterase deficiency (BChE deficiency) [MIM:[https://omim.org/entry/177400 177400]. BChE deficiency is a metabolic disorder characterized by prolonged apnoea after the use of certain anesthetic drugs, including the muscle relaxants succinylcholine or mivacurium and other ester local anesthetics. The duration of the prolonged apnoea varies significantly depending on the extent of the enzyme deficiency. BChE deficiency is a multifactorial disorder. The hereditary condition is transmitted as an autosomal recessive trait.
	== Function ==		== Function ==
-	[~~[http~~://www.uniprot.org/uniprot/CHLE_HUMAN CHLE_HUMAN]] Esterase with broad substrate specificity. Contributes to the inactivation of the neurotransmitter acetylcholine. Can degrade neurotoxic organophosphate esters.<ref>PMID:19542320</ref> <ref>PMID:19452557</ref>	+	[https://www.uniprot.org/uniprot/CHLE_HUMAN CHLE_HUMAN] Esterase with broad substrate specificity. Contributes to the inactivation of the neurotransmitter acetylcholine. Can degrade neurotoxic organophosphate esters.<ref>PMID:19542320</ref> <ref>PMID:19452557</ref>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
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	</div>		</div>
	<div class="pdbe-citations 6r6w" style="background-color:#fffaf0;"></div>		<div class="pdbe-citations 6r6w" style="background-color:#fffaf0;"></div>
		+
		+	==See Also==
		+	*[[Butyrylcholinesterase 3D structures\|Butyrylcholinesterase 3D structures]]
	== References ==		== References ==
	<references/>		<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: ~~Cholinesterase]]~~	+	[[Category: Homo sapiens]]
-	~~[[Category: Human~~]]	+
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: Brazzolotto, X]]	+	[[Category: Brazzolotto X]]
-	[[Category: Gobec, S]]	+	[[Category: Gobec S]]
-	[[Category: Knez, D]]	+	[[Category: Knez D]]
-	[[Category: Nachon, F]]	+	[[Category: Nachon F]]
-	~~[[Category: Butyrylcholinesterase]]~~	+
-	~~[[Category: Fluorescent probe]]~~	+
-	~~[[Category: Hydrolase]]~~	+
-	~~[[Category: Protein-ligand complex~~]]	+

OCA at 16:47, 22 January 2020

OCA — Wed, 22 Jan 2020 16:47:54 GMT

←Older revision		Revision as of 16:47, 22 January 2020
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-	'''Unreleased structure'''

-	~~The entry~~ 6r6w is ~~ON HOLD~~ ~~until Paper~~ Publication	+	==Structure of recombinant human butyrylcholinesterase in complex with a fluorescent NBD-based probe==
		+	<StructureSection load='6r6w' size='340' side='right'caption='[[6r6w]], [[Resolution\|resolution]] 2.47Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[6r6w]] is a 1 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=6R6W OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=6R6W FirstGlance]. <br>
		+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=DMS:DIMETHYL+SULFOXIDE'>DMS</scene>, <scene name='pdbligand=FUC:ALPHA-L-FUCOSE'>FUC</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=JUB:[7-[4-[2-[naphthalen-2-ylsulfonyl-[[(3~{S})-1-(phenylmethyl)piperidin-1-ium-3-yl]methyl]amino]ethyl]piperazin-4-ium-1-yl]-2,1,3-benzoxadiazol-4-yl]-oxidanyl-oxidanylidene-azanium'>JUB</scene>, <scene name='pdbligand=NAG:N-ACETYL-D-GLUCOSAMINE'>NAG</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene></td></tr>
		+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">BCHE, CHE1 ([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/Cholinesterase Cholinesterase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.1.1.8 3.1.1.8] </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=6r6w FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6r6w OCA], [http://pdbe.org/6r6w PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6r6w RCSB], [http://www.ebi.ac.uk/pdbsum/6r6w PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6r6w ProSAT]</span></td></tr>
		+	</table>
		+	== Disease ==
		+	[[http://www.uniprot.org/uniprot/CHLE_HUMAN CHLE_HUMAN]] Defects in BCHE are the cause of butyrylcholinesterase deficiency (BChE deficiency) [MIM:[http://omim.org/entry/177400 177400]]. BChE deficiency is a metabolic disorder characterized by prolonged apnoea after the use of certain anesthetic drugs, including the muscle relaxants succinylcholine or mivacurium and other ester local anesthetics. The duration of the prolonged apnoea varies significantly depending on the extent of the enzyme deficiency. BChE deficiency is a multifactorial disorder. The hereditary condition is transmitted as an autosomal recessive trait.
		+	== Function ==
		+	[[http://www.uniprot.org/uniprot/CHLE_HUMAN CHLE_HUMAN]] Esterase with broad substrate specificity. Contributes to the inactivation of the neurotransmitter acetylcholine. Can degrade neurotoxic organophosphate esters.<ref>PMID:19542320</ref> <ref>PMID:19452557</ref>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	Brain butyrylcholinesterase (BChE) is an attractive target for drugs designed for the treatment of Alzheimer's disease (AD) in its advanced stages. It also potentially represents a biomarker for progression of this disease. Based on the crystal structure of previously described highly potent, reversible, and selective BChE inhibitors, we have developed the fluorescent probes that are selective towards human BChE. The most promising probes also maintain their inhibition of BChE in the low nanomolar range with high selectivity over acetylcholinesterase. Kinetic studies of probes reveal a reversible mixed inhibition mechanism, with binding of these fluorescent probes to both the free and acylated enzyme. Probes show environment-sensitive emission, and additionally, one of them also shows significant enhancement of fluorescence intensity upon binding to the active site of BChE. Finally, the crystal structures of probes in complex with human BChE are reported, which offer an excellent base for further development of this library of compounds.

-	~~Authors: Brazzolotto~~, X., ~~Nachon~~, F., ~~Knez~~, D., ~~Gobec~~, S.	+	Development of potent reversible selective inhibitors of butyrylcholinesterase as fluorescent probes.,Pajk S, Knez D, Kosak U, Zorovic M, Brazzolotto X, Coquelle N, Nachon F, Colletier JP, Zivin M, Stojan J, Gobec S J Enzyme Inhib Med Chem. 2020 Dec;35(1):498-505. doi:, 10.1080/14756366.2019.1710502. PMID:31914836<ref>PMID:31914836</ref>

-	~~Description: Structure of recombinant human butyrylcholinesterase in complex with~~ a ~~fluorescent NBD~~-~~based probe~~	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-	[[Category: ~~Unreleased Structures~~]]	+	</div>
-	[[Category: ~~Gobec, S~~]]	+	<div class="pdbe-citations 6r6w" style="background-color:#fffaf0;"></div>
		+	== References ==
		+	<references/>
		+	__TOC__
		+	</StructureSection>
		+	[[Category: Cholinesterase]]
		+	[[Category: Human]]
		+	[[Category: Large Structures]]
	[[Category: Brazzolotto, X]]		[[Category: Brazzolotto, X]]
		+	[[Category: Gobec, S]]
	[[Category: Knez, D]]		[[Category: Knez, D]]
	[[Category: Nachon, F]]		[[Category: Nachon, F]]
		+	[[Category: Butyrylcholinesterase]]
		+	[[Category: Fluorescent probe]]
		+	[[Category: Hydrolase]]
		+	[[Category: Protein-ligand complex]]

OCA at 05:39, 10 April 2019

OCA — Wed, 10 Apr 2019 05:39:07 GMT

←Older revision		Revision as of 05:39, 10 April 2019
Line 1:		Line 1:
	'''Unreleased structure'''		'''Unreleased structure'''

-	The entry 6r6w is ON HOLD	+	The entry 6r6w is ON HOLD until Paper Publication

	Authors: Brazzolotto, X., Nachon, F., Knez, D., Gobec, S.		Authors: Brazzolotto, X., Nachon, F., Knez, D., Gobec, S.
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	[[Category: Unreleased Structures]]		[[Category: Unreleased Structures]]
	[[Category: Gobec, S]]		[[Category: Gobec, S]]
		+	[[Category: Brazzolotto, X]]
	[[Category: Knez, D]]		[[Category: Knez, D]]
	[[Category: Nachon, F]]		[[Category: Nachon, F]]
-	[[Category: Brazzolotto, X]]

OCA: Protected "6r6w" [edit=sysop:move=sysop]

OCA — Wed, 03 Apr 2019 05:04:31 GMT

Protected "6r6w" [edit=sysop:move=sysop]

←Older revision

Revision as of 05:04, 3 April 2019

OCA: New page: '''Unreleased structure''' The entry 6r6w is ON HOLD Authors: Brazzolotto, X., Nachon, F., Knez, D., Gobec, S. Description: Structure of recombinant human butyrylcholinesterase in comp...

OCA — Wed, 03 Apr 2019 05:04:29 GMT

New page: '''Unreleased structure''' The entry 6r6w is ON HOLD Authors: Brazzolotto, X., Nachon, F., Knez, D., Gobec, S. Description: Structure of recombinant human butyrylcholinesterase in comp...

New page

'''Unreleased structure'''

The entry 6r6w is ON HOLD

Authors: Brazzolotto, X., Nachon, F., Knez, D., Gobec, S.

Description: Structure of recombinant human butyrylcholinesterase in complex with a fluorescent NBD-based probe
[[Category: Unreleased Structures]]
[[Category: Gobec, S]]
[[Category: Knez, D]]
[[Category: Nachon, F]]
[[Category: Brazzolotto, X]]