1qxs - Revision history

OCA at 08:18, 14 February 2024

OCA — Wed, 14 Feb 2024 08:18:37 GMT

←Older revision		Revision as of 08:18, 14 February 2024
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	<StructureSection load='1qxs' size='340' side='right'caption='[[1qxs]], [[Resolution\|resolution]] 2.75Å' scene=''>		<StructureSection load='1qxs' size='340' side='right'caption='[[1qxs]], [[Resolution\|resolution]] 2.75Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[1qxs]] is a 4 chain structure with sequence from [https://en.wikipedia.org/wiki/~~Trycr Trycr~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1QXS OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1QXS FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[1qxs]] is a 4 chain structure with sequence from [https://en.wikipedia.org/wiki/Trypanosoma_cruzi Trypanosoma cruzi]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1QXS OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1QXS FirstGlance]. <br>
-	</td></tr><tr id='~~ligand~~'><td class="sblockLbl"><b>[[~~Ligand~~\|~~Ligands~~:]]</b></td><td class="sblockDat" id="~~ligandDat~~">~~<scene name='pdbligand=NAD:NICOTINAMIDE~~-~~ADENINE-DINUCLEOTIDE'>NAD</scene>~~, ~~<scene name='pdbligand=S70:3-HYDROXY-~~2~~-OXO-4-PHOPHONOXY-+BUTYL)-PHOSPHONIC+ACID'>S70</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]] 2.75Å</td></tr>
-	<tr id='~~related~~'><td class="sblockLbl"><b>[[~~Related_structure~~\|~~Related~~:]]</b></td><td class="sblockDat"><~~div style~~='~~overflow~~: ~~auto; max~~-~~height: 3em;~~'>~~[[1k3t\|1k3t]], [[1ml3\|1ml3]]~~</~~div~~><~~/td></tr>~~	+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=NAD:NICOTINAMIDE-ADENINE-DINUCLEOTIDE'>NAD</scene>, <scene name='pdbligand=S70:3-HYDROXY-2-OXO-4-PHOPHONOXY-+BUTYL)-PHOSPHONIC+ACID'>S70</scene></td></tr>
-	~~<tr id~~='~~activity'><td class~~=~~"sblockLbl"><b>Activity~~:~~</b></td><td class="sblockDat"><span class='plainlinks'>[https://en.wikipedia.org/wiki/Glyceraldehyde-~~3-~~phosphate_dehydrogenase_(phosphorylating) Glyceraldehyde~~-3-~~phosphate dehydrogenase (phosphorylating~~)~~], with EC number [https://www.brenda~~-~~enzymes.info/php/result_flat.php4?ecno=1.2.1.12 1.2.1.12]~~ </~~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=1qxs FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1qxs OCA], [https://pdbe.org/1qxs PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1qxs RCSB], [https://www.ebi.ac.uk/pdbsum/1qxs PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1qxs 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=1qxs FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1qxs OCA], [https://pdbe.org/1qxs PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1qxs RCSB], [https://www.ebi.ac.uk/pdbsum/1qxs PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1qxs ProSAT]</span></td></tr>
	</table>		</table>
		+	== Function ==
		+	[https://www.uniprot.org/uniprot/G3PG_TRYCR G3PG_TRYCR]
	== Evolutionary Conservation ==		== Evolutionary Conservation ==
	[[Image:Consurf_key_small.gif\|200px\|right]]		[[Image:Consurf_key_small.gif\|200px\|right]]
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	</jmol>, as determined by [http://consurfdb.tau.ac.il/ ConSurfDB]. You may read the [[Conservation%2C_Evolutionary\|explanation]] of the method and the full data available from [http://bental.tau.ac.il/new_ConSurfDB/main_output.php?pdb_ID=1qxs ConSurf].		</jmol>, as determined by [http://consurfdb.tau.ac.il/ ConSurfDB]. You may read the [[Conservation%2C_Evolutionary\|explanation]] of the method and the full data available from [http://bental.tau.ac.il/new_ConSurfDB/main_output.php?pdb_ID=1qxs ConSurf].
	<div style="clear:both"></div>		<div style="clear:both"></div>
-	<div style="background-color:#fffaf0;">
-	== Publication Abstract from PubMed ==
-	We report here the first crystal structure of a stable isosteric analogue of 1,3-bisphospho-d-glyceric acid (1,3-BPGA) bound to the catalytic domain of Trypanosoma cruzi glycosomal glyceraldehyde-3-phosphate dehydrogenase (gGAPDH) in which the two phosphoryl moieties interact with Arg249. This complex possibly illustrates a step of the catalytic process by which Arg249 may induce compression of the product formed, allowing its expulsion from the active site. Structural modifications were introduced into this isosteric analogue and the respective inhibitory effects of the resulting diphosphorylated compounds on T. cruzi and Trypanosoma brucei gGAPDHs were investigated by enzymatic inhibition studies, fluorescence spectroscopy, site-directed mutagenesis, and molecular modelling. Despite the high homology between the two trypanomastid gGAPDHs (> 95%), we have identified specific interactions that could be used to design selective irreversible inhibitors against T. cruzi gGAPDH.
-
-	Crystal structure of Trypanosoma cruzi glyceraldehyde-3-phosphate dehydrogenase complexed with an analogue of 1,3-bisphospho-d-glyceric acid.,Ladame S, Castilho MS, Silva CH, Denier C, Hannaert V, Perie J, Oliva G, Willson M Eur J Biochem. 2003 Nov;270(22):4574-86. PMID:14622286<ref>PMID:14622286</ref>
-
-	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-	</div>
-	<div class="pdbe-citations 1qxs" style="background-color:#fffaf0;"></div>

	==See Also==		==See Also==
	*[[Aldehyde dehydrogenase 3D structures\|Aldehyde dehydrogenase 3D structures]]		*[[Aldehyde dehydrogenase 3D structures\|Aldehyde dehydrogenase 3D structures]]
	*[[Glyceraldehyde-3-phosphate dehydrogenase 3D structures\|Glyceraldehyde-3-phosphate dehydrogenase 3D structures]]		*[[Glyceraldehyde-3-phosphate dehydrogenase 3D structures\|Glyceraldehyde-3-phosphate dehydrogenase 3D structures]]
-	== References ==
-	<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: ~~Trycr~~]]	+	[[Category: Trypanosoma cruzi]]
-	[[Category: Castilho~~, M S~~]]	+	[[Category: Castilho MS]]
-	[[Category: Oliva, G]]	+	[[Category: Oliva G]]
-	[[Category: Pavao, F]]	+	[[Category: Pavao F]]
-	~~[[Category: 3-bpga analogue complex]]~~	+
-	~~[[Category: Ggapdh 1]]~~	+
-	~~[[Category: Oxidoreductase~~]]	+

OCA at 09:00, 21 April 2021

OCA — Wed, 21 Apr 2021 09:00:18 GMT

←Older revision		Revision as of 09:00, 21 April 2021
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	<StructureSection load='1qxs' size='340' side='right'caption='[[1qxs]], [[Resolution\|resolution]] 2.75Å' scene=''>		<StructureSection load='1qxs' size='340' side='right'caption='[[1qxs]], [[Resolution\|resolution]] 2.75Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[1qxs]] is a 4 chain structure with sequence from [~~http~~://en.wikipedia.org/wiki/Trycr Trycr]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1QXS OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=1QXS FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[1qxs]] is a 4 chain structure with sequence from [https://en.wikipedia.org/wiki/Trycr Trycr]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1QXS OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1QXS FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=NAD:NICOTINAMIDE-ADENINE-DINUCLEOTIDE'>NAD</scene>, <scene name='pdbligand=S70:3-HYDROXY-2-OXO-4-PHOPHONOXY-+BUTYL)-PHOSPHONIC+ACID'>S70</scene></td></tr>	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=NAD:NICOTINAMIDE-ADENINE-DINUCLEOTIDE'>NAD</scene>, <scene name='pdbligand=S70:3-HYDROXY-2-OXO-4-PHOPHONOXY-+BUTYL)-PHOSPHONIC+ACID'>S70</scene></td></tr>
-	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1k3t\|1k3t]], [[1ml3\|1ml3]]</td></tr>	+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat"><div style='overflow: auto; max-height: 3em;'>[[1k3t\|1k3t]], [[1ml3\|1ml3]]</div></td></tr>
-	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[~~http~~://en.wikipedia.org/wiki/Glyceraldehyde-3-phosphate_dehydrogenase_(phosphorylating) Glyceraldehyde-3-phosphate dehydrogenase (phosphorylating)], with EC number [~~http~~://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.2.1.12 1.2.1.12] </span></td></tr>	+	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[https://en.wikipedia.org/wiki/Glyceraldehyde-3-phosphate_dehydrogenase_(phosphorylating) Glyceraldehyde-3-phosphate dehydrogenase (phosphorylating)], with EC number [https://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.2.1.12 1.2.1.12] </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=1qxs FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1qxs OCA], [~~http~~://pdbe.org/1qxs PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=1qxs RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/1qxs PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=1qxs 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=1qxs FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1qxs OCA], [https://pdbe.org/1qxs PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1qxs RCSB], [https://www.ebi.ac.uk/pdbsum/1qxs PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1qxs ProSAT]</span></td></tr>
	</table>		</table>
	== Evolutionary Conservation ==		== Evolutionary Conservation ==

OCA at 13:09, 17 July 2019

OCA — Wed, 17 Jul 2019 13:09:05 GMT

←Older revision		Revision as of 13:09, 17 July 2019
Line 1:		Line 1:

	==CRYSTAL STRUCTURE OF Trypanosoma cruzi GLYCERALDEHYDE-3- PHOSPHATE DEHYDROGENASE COMPLEXED WITH AN ANALOGUE OF 1,3- BisPHOSPHO-D-GLYCERIC ACID==		==CRYSTAL STRUCTURE OF Trypanosoma cruzi GLYCERALDEHYDE-3- PHOSPHATE DEHYDROGENASE COMPLEXED WITH AN ANALOGUE OF 1,3- BisPHOSPHO-D-GLYCERIC ACID==
-	<StructureSection load='1qxs' size='340' side='right' caption='[[1qxs]], [[Resolution\|resolution]] 2.75Å' scene=''>	+	<StructureSection load='1qxs' size='340' side='right'caption='[[1qxs]], [[Resolution\|resolution]] 2.75Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[1qxs]] is a 4 chain structure with sequence from [http://en.wikipedia.org/wiki/Trycr Trycr]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1QXS OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1QXS FirstGlance]. <br>		<table><tr><td colspan='2'>[[1qxs]] is a 4 chain structure with sequence from [http://en.wikipedia.org/wiki/Trycr Trycr]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1QXS OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1QXS FirstGlance]. <br>
Line 13:		Line 13:
	Check<jmol>		Check<jmol>
	<jmolCheckbox>		<jmolCheckbox>
-	<scriptWhenChecked>select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/qx/1qxs_consurf.spt"</scriptWhenChecked>	+	<scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/qx/1qxs_consurf.spt"</scriptWhenChecked>
	<scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.spt</scriptWhenUnchecked>		<scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.spt</scriptWhenUnchecked>
	<text>to colour the structure by Evolutionary Conservation</text>		<text>to colour the structure by Evolutionary Conservation</text>
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	</div>		</div>
	<div class="pdbe-citations 1qxs" style="background-color:#fffaf0;"></div>		<div class="pdbe-citations 1qxs" style="background-color:#fffaf0;"></div>
		+
		+	==See Also==
		+	*[[Aldehyde dehydrogenase 3D structures\|Aldehyde dehydrogenase 3D structures]]
		+	*[[Glyceraldehyde-3-phosphate dehydrogenase 3D structures\|Glyceraldehyde-3-phosphate dehydrogenase 3D structures]]
	== References ==		== References ==
	<references/>		<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: Large Structures]]
	[[Category: Trycr]]		[[Category: Trycr]]
	[[Category: Castilho, M S]]		[[Category: Castilho, M S]]

OCA at 10:42, 12 October 2017

OCA — Thu, 12 Oct 2017 10:42:03 GMT

←Older revision		Revision as of 10:42, 12 October 2017
Line 1:		Line 1:
		+
	==CRYSTAL STRUCTURE OF Trypanosoma cruzi GLYCERALDEHYDE-3- PHOSPHATE DEHYDROGENASE COMPLEXED WITH AN ANALOGUE OF 1,3- BisPHOSPHO-D-GLYCERIC ACID==		==CRYSTAL STRUCTURE OF Trypanosoma cruzi GLYCERALDEHYDE-3- PHOSPHATE DEHYDROGENASE COMPLEXED WITH AN ANALOGUE OF 1,3- BisPHOSPHO-D-GLYCERIC ACID==
	<StructureSection load='1qxs' size='340' side='right' caption='[[1qxs]], [[Resolution\|resolution]] 2.75Å' scene=''>		<StructureSection load='1qxs' size='340' side='right' caption='[[1qxs]], [[Resolution\|resolution]] 2.75Å' scene=''>
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	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1k3t\|1k3t]], [[1ml3\|1ml3]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1k3t\|1k3t]], [[1ml3\|1ml3]]</td></tr>
	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Glyceraldehyde-3-phosphate_dehydrogenase_(phosphorylating) Glyceraldehyde-3-phosphate dehydrogenase (phosphorylating)], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.2.1.12 1.2.1.12] </span></td></tr>		<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Glyceraldehyde-3-phosphate_dehydrogenase_(phosphorylating) Glyceraldehyde-3-phosphate dehydrogenase (phosphorylating)], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.2.1.12 1.2.1.12] </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=1qxs FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1qxs OCA], [http://pdbe.org/1qxs PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=1qxs RCSB], [http://www.ebi.ac.uk/pdbsum/1qxs PDBsum]</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=1qxs FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1qxs OCA], [http://pdbe.org/1qxs PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=1qxs RCSB], [http://www.ebi.ac.uk/pdbsum/1qxs PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=1qxs ProSAT]</span></td></tr>
	</table>		</table>
	== Evolutionary Conservation ==		== Evolutionary Conservation ==
Line 27:		Line 28:
	</div>		</div>
	<div class="pdbe-citations 1qxs" style="background-color:#fffaf0;"></div>		<div class="pdbe-citations 1qxs" style="background-color:#fffaf0;"></div>
-
-	==See Also==
-	*[[Aldehyde dehydrogenase\|Aldehyde dehydrogenase]]
	== References ==		== References ==
	<references/>		<references/>

OCA at 18:11, 8 February 2016

OCA — Mon, 08 Feb 2016 18:11:34 GMT

←Older revision		Revision as of 18:11, 8 February 2016
Line 16:		Line 16:
	<text>to colour the structure by Evolutionary Conservation</text>		<text>to colour the structure by Evolutionary Conservation</text>
	</jmolCheckbox>		</jmolCheckbox>
-	</jmol>, as determined by [http://consurfdb.tau.ac.il/ ConSurfDB]. You may read the [[Conservation%2C_Evolutionary\|explanation]] of the method and the full data available from [http://bental.tau.ac.il/new_ConSurfDB/~~chain_selection~~.php?pdb_ID=~~2ata~~ ConSurf].	+	</jmol>, as determined by [http://consurfdb.tau.ac.il/ ConSurfDB]. You may read the [[Conservation%2C_Evolutionary\|explanation]] of the method and the full data available from [http://bental.tau.ac.il/new_ConSurfDB/main_output.php?pdb_ID=1qxs ConSurf].
	<div style="clear:both"></div>		<div style="clear:both"></div>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">

OCA at 14:07, 10 September 2015

OCA — Thu, 10 Sep 2015 14:07:47 GMT

←Older revision		Revision as of 14:07, 10 September 2015
Line 2:		Line 2:
	<StructureSection load='1qxs' size='340' side='right' caption='[[1qxs]], [[Resolution\|resolution]] 2.75Å' scene=''>		<StructureSection load='1qxs' size='340' side='right' caption='[[1qxs]], [[Resolution\|resolution]] 2.75Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[1qxs]] is a 4 chain structure with sequence from [http://en.wikipedia.org/wiki/~~Trypanosoma_cruzi Trypanosoma cruzi~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1QXS OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1QXS FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[1qxs]] is a 4 chain structure with sequence from [http://en.wikipedia.org/wiki/Trycr Trycr]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1QXS OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1QXS FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=NAD:NICOTINAMIDE-ADENINE-DINUCLEOTIDE'>NAD</scene>, <scene name='pdbligand=S70:3-HYDROXY-2-OXO-4-PHOPHONOXY-+BUTYL)-PHOSPHONIC+ACID'>S70</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=NAD:NICOTINAMIDE-ADENINE-DINUCLEOTIDE'>NAD</scene>, <scene name='pdbligand=S70:3-HYDROXY-2-OXO-4-PHOPHONOXY-+BUTYL)-PHOSPHONIC+ACID'>S70</scene></td></tr>
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1k3t\|1k3t]], [[1ml3\|1ml3]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1k3t\|1k3t]], [[1ml3\|1ml3]]</td></tr>
	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Glyceraldehyde-3-phosphate_dehydrogenase_(phosphorylating) Glyceraldehyde-3-phosphate dehydrogenase (phosphorylating)], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.2.1.12 1.2.1.12] </span></td></tr>		<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Glyceraldehyde-3-phosphate_dehydrogenase_(phosphorylating) Glyceraldehyde-3-phosphate dehydrogenase (phosphorylating)], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.2.1.12 1.2.1.12] </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=1qxs FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1qxs OCA], [http://www.rcsb.org/pdb/explore.do?structureId=1qxs RCSB], [http://www.ebi.ac.uk/pdbsum/1qxs PDBsum]</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=1qxs FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1qxs OCA], [http://pdbe.org/1qxs PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=1qxs RCSB], [http://www.ebi.ac.uk/pdbsum/1qxs PDBsum]</span></td></tr>
	</table>		</table>
	== Evolutionary Conservation ==		== Evolutionary Conservation ==
Line 26:		Line 26:
	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>		From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
	</div>		</div>
		+	<div class="pdbe-citations 1qxs" style="background-color:#fffaf0;"></div>
		+
		+	==See Also==
		+	*[[Aldehyde dehydrogenase\|Aldehyde dehydrogenase]]
	== References ==		== References ==
	<references/>		<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: ~~Trypanosoma cruzi~~]]	+	[[Category: Trycr]]
	[[Category: Castilho, M S]]		[[Category: Castilho, M S]]
	[[Category: Oliva, G]]		[[Category: Oliva, G]]

OCA at 07:52, 6 January 2015

OCA — Tue, 06 Jan 2015 07:52:10 GMT

←Older revision		Revision as of 07:52, 6 January 2015
Line 3:		Line 3:
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[1qxs]] is a 4 chain structure with sequence from [http://en.wikipedia.org/wiki/Trypanosoma_cruzi Trypanosoma cruzi]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1QXS OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1QXS FirstGlance]. <br>		<table><tr><td colspan='2'>[[1qxs]] is a 4 chain structure with sequence from [http://en.wikipedia.org/wiki/Trypanosoma_cruzi Trypanosoma cruzi]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1QXS OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1QXS FirstGlance]. <br>
-	</td></tr><tr><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=NAD:NICOTINAMIDE-ADENINE-DINUCLEOTIDE'>NAD</scene>, <scene name='pdbligand=S70:3-HYDROXY-2-OXO-4-PHOPHONOXY-+BUTYL)-PHOSPHONIC+ACID'>S70</scene><br>	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=NAD:NICOTINAMIDE-ADENINE-DINUCLEOTIDE'>NAD</scene>, <scene name='pdbligand=S70:3-HYDROXY-2-OXO-4-PHOPHONOXY-+BUTYL)-PHOSPHONIC+ACID'>S70</scene></td></tr>
-	<tr><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1k3t\|1k3t]], [[1ml3\|1ml3]]</td></tr>	+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1k3t\|1k3t]], [[1ml3\|1ml3]]</td></tr>
-	<tr><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Glyceraldehyde-3-phosphate_dehydrogenase_(phosphorylating) Glyceraldehyde-3-phosphate dehydrogenase (phosphorylating)], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.2.1.12 1.2.1.12] </span></td></tr>	+	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Glyceraldehyde-3-phosphate_dehydrogenase_(phosphorylating) Glyceraldehyde-3-phosphate dehydrogenase (phosphorylating)], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.2.1.12 1.2.1.12] </span></td></tr>
-	<tr><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1qxs FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1qxs OCA], [http://www.rcsb.org/pdb/explore.do?structureId=1qxs RCSB], [http://www.ebi.ac.uk/pdbsum/1qxs PDBsum]</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=1qxs FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1qxs OCA], [http://www.rcsb.org/pdb/explore.do?structureId=1qxs RCSB], [http://www.ebi.ac.uk/pdbsum/1qxs PDBsum]</span></td></tr>
-	<table>	+	</table>
	== Evolutionary Conservation ==		== Evolutionary Conservation ==
	[[Image:Consurf_key_small.gif\|200px\|right]]		[[Image:Consurf_key_small.gif\|200px\|right]]
Line 31:		Line 31:
	</StructureSection>		</StructureSection>
	[[Category: Trypanosoma cruzi]]		[[Category: Trypanosoma cruzi]]
-	[[Category: Castilho, M S.]]	+	[[Category: Castilho, M S]]
-	[[Category: Oliva, G.]]	+	[[Category: Oliva, G]]
-	[[Category: Pavao, F.]]	+	[[Category: Pavao, F]]
	[[Category: 3-bpga analogue complex]]		[[Category: 3-bpga analogue complex]]
	[[Category: Ggapdh 1]]		[[Category: Ggapdh 1]]
	[[Category: Oxidoreductase]]		[[Category: Oxidoreductase]]

OCA at 22:46, 28 September 2014

OCA — Sun, 28 Sep 2014 22:46:57 GMT

←Older revision		Revision as of 22:46, 28 September 2014
Line 1:		Line 1:
-	[[~~Image:~~1qxs.~~png~~\|~~left~~\|200px]]	+	==CRYSTAL STRUCTURE OF Trypanosoma cruzi GLYCERALDEHYDE-3- PHOSPHATE DEHYDROGENASE COMPLEXED WITH AN ANALOGUE OF 1,3- BisPHOSPHO-D-GLYCERIC ACID==
		+	<StructureSection load='1qxs' size='340' side='right' caption='[[1qxs]], [[Resolution\|resolution]] 2.75Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[1qxs]] is a 4 chain structure with sequence from [http://en.wikipedia.org/wiki/Trypanosoma_cruzi Trypanosoma cruzi]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1QXS OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1QXS FirstGlance]. <br>
		+	</td></tr><tr><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=NAD:NICOTINAMIDE-ADENINE-DINUCLEOTIDE'>NAD</scene>, <scene name='pdbligand=S70:3-HYDROXY-2-OXO-4-PHOPHONOXY-+BUTYL)-PHOSPHONIC+ACID'>S70</scene><br>
		+	<tr><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1k3t\|1k3t]], [[1ml3\|1ml3]]</td></tr>
		+	<tr><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Glyceraldehyde-3-phosphate_dehydrogenase_(phosphorylating) Glyceraldehyde-3-phosphate dehydrogenase (phosphorylating)], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.2.1.12 1.2.1.12] </span></td></tr>
		+	<tr><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1qxs FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1qxs OCA], [http://www.rcsb.org/pdb/explore.do?structureId=1qxs RCSB], [http://www.ebi.ac.uk/pdbsum/1qxs PDBsum]</span></td></tr>
		+	<table>
		+	== Evolutionary Conservation ==
		+	[[Image:Consurf_key_small.gif\|200px\|right]]
		+	Check<jmol>
		+	<jmolCheckbox>
		+	<scriptWhenChecked>select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/qx/1qxs_consurf.spt"</scriptWhenChecked>
		+	<scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.spt</scriptWhenUnchecked>
		+	<text>to colour the structure by Evolutionary Conservation</text>
		+	</jmolCheckbox>
		+	</jmol>, as determined by [http://consurfdb.tau.ac.il/ ConSurfDB]. You may read the [[Conservation%2C_Evolutionary\|explanation]] of the method and the full data available from [http://bental.tau.ac.il/new_ConSurfDB/chain_selection.php?pdb_ID=2ata ConSurf].
		+	<div style="clear:both"></div>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	We report here the first crystal structure of a stable isosteric analogue of 1,3-bisphospho-d-glyceric acid (1,3-BPGA) bound to the catalytic domain of Trypanosoma cruzi glycosomal glyceraldehyde-3-phosphate dehydrogenase (gGAPDH) in which the two phosphoryl moieties interact with Arg249. This complex possibly illustrates a step of the catalytic process by which Arg249 may induce compression of the product formed, allowing its expulsion from the active site. Structural modifications were introduced into this isosteric analogue and the respective inhibitory effects of the resulting diphosphorylated compounds on T. cruzi and Trypanosoma brucei gGAPDHs were investigated by enzymatic inhibition studies, fluorescence spectroscopy, site-directed mutagenesis, and molecular modelling. Despite the high homology between the two trypanomastid gGAPDHs (> 95%), we have identified specific interactions that could be used to design selective irreversible inhibitors against T. cruzi gGAPDH.

-	~~{{STRUCTURE_1qxs\| PDB=1qxs \| SCENE= }}~~	+	Crystal structure of Trypanosoma cruzi glyceraldehyde-3-phosphate dehydrogenase complexed with an analogue of 1,3-bisphospho-d-glyceric acid.,Ladame S, Castilho MS, Silva CH, Denier C, Hannaert V, Perie J, Oliva G, Willson M Eur J Biochem. 2003 Nov;270(22):4574-86. PMID:14622286<ref>PMID:14622286</ref>

-	~~===CRYSTAL STRUCTURE OF Trypanosoma cruzi GLYCERALDEHYDE-3- PHOSPHATE DEHYDROGENASE COMPLEXED WITH AN ANALOGUE OF 1~~,~~3- BisPHOSPHO-D-GLYCERIC ACID===~~	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-		+	</div>
-	~~{{ABSTRACT_PUBMED_14622286}}~~	+	== References ==
-		+	<references/>
-	~~==About this Structure==~~	+	__TOC__
-	~~[[1qxs]] is~~ a ~~4 chain structure with sequence from [http://en~~.~~wikipedia~~.~~org/wiki/Trypanosoma_cruzi Trypanosoma cruzi]~~. ~~Full crystallographic information is available from [http:~~/~~/oca.weizmann.ac.il/oca-bin/ocashort?id=1QXS OCA].~~	+	</StructureSection>
-		+
-	==~~See Also==~~	+
-	*[[Aldehyde dehydrogenase\|Aldehyde dehydrogenase]]	+
-		+
-	~~==Reference~~==	+
-	<~~ref group="xtra">PMID:014622286<~~/~~ref~~><~~references group="xtra"~~/>	+
	[[Category: Trypanosoma cruzi]]		[[Category: Trypanosoma cruzi]]
	[[Category: Castilho, M S.]]		[[Category: Castilho, M S.]]

OCA at 11:01, 20 October 2012

OCA — Sat, 20 Oct 2012 11:01:17 GMT

←Older revision		Revision as of 11:01, 20 October 2012
Line 8:		Line 8:

	==About this Structure==		==About this Structure==
-	[[1qxs]] is a 4 chain structure ~~of [[Aldehyde dehydrogenase]]~~ with sequence from [http://en.wikipedia.org/wiki/Trypanosoma_cruzi Trypanosoma cruzi]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1QXS OCA].	+	[[1qxs]] is a 4 chain structure with sequence from [http://en.wikipedia.org/wiki/Trypanosoma_cruzi Trypanosoma cruzi]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1QXS OCA].

	==See Also==		==See Also==

OCA at 03:59, 26 July 2012

OCA — Thu, 26 Jul 2012 03:59:47 GMT

←Older revision		Revision as of 03:59, 26 July 2012
Line 1:		Line 1:
	[[Image:1qxs.png\|left\|200px]]		[[Image:1qxs.png\|left\|200px]]

-	<!--
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	{{STRUCTURE_1qxs\| PDB=1qxs \| SCENE= }}		{{STRUCTURE_1qxs\| PDB=1qxs \| SCENE= }}

	===CRYSTAL STRUCTURE OF Trypanosoma cruzi GLYCERALDEHYDE-3- PHOSPHATE DEHYDROGENASE COMPLEXED WITH AN ANALOGUE OF 1,3- BisPHOSPHO-D-GLYCERIC ACID===		===CRYSTAL STRUCTURE OF Trypanosoma cruzi GLYCERALDEHYDE-3- PHOSPHATE DEHYDROGENASE COMPLEXED WITH AN ANALOGUE OF 1,3- BisPHOSPHO-D-GLYCERIC ACID===

-
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	{{ABSTRACT_PUBMED_14622286}}		{{ABSTRACT_PUBMED_14622286}}