3e0q - Revision history

OCA at 12:56, 30 August 2023

OCA — Wed, 30 Aug 2023 12:56:15 GMT

←Older revision		Revision as of 12:56, 30 August 2023
Line 3:		Line 3:
	<StructureSection load='3e0q' size='340' side='right'caption='[[3e0q]], [[Resolution\|resolution]] 1.90Å' scene=''>		<StructureSection load='3e0q' size='340' side='right'caption='[[3e0q]], [[Resolution\|resolution]] 1.90Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[3e0q]] is a 3 chain structure with sequence from [https://en.wikipedia.org/wiki/~~Blood_fluke Blood fluke~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3E0Q OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3E0Q FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[3e0q]] is a 3 chain structure with sequence from [https://en.wikipedia.org/wiki/Schistosoma_mansoni Schistosoma mansoni]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3E0Q OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3E0Q FirstGlance]. <br>
-	</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=JFD:6~~-~~AMINO-5-BROMO-1~~,~~2,3,4-TETRAHYDROPYRIMIDINE-2,4-DIONE'>JFD</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]] 1.9Å</td></tr>
-	~~<tr id='related'><td class="sblockLbl"><b>~~[[~~Related_structure~~\|~~Related:~~]]~~</b></td><td class="sblockDat"><div style='overflow: auto~~; ~~max-height: 3em;'>[[1tcv\|1tcv]], [[1tcu\|1tcu]], [[1td1\|1td1]]</div>~~</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=JFD:6-AMINO-5-BROMO-1,2,3,4-TETRAHYDROPYRIMIDINE-2,4-DIONE'>JFD</scene></td></tr>
-	<tr id='~~gene~~'><td class="sblockLbl"><b>[[~~Gene~~\|~~Gene~~:]]</b></td><td class="sblockDat"~~>SmPNP ([https://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&~~id=~~6183 Blood fluke])</td~~><~~/tr>~~	+
-	~~<tr id~~='~~activity'><td class~~=~~"sblockLbl"><b>Activity~~:~~</b~~></td><~~td class~~=~~"sblockDat"><span class~~=~~'plainlinks'>[https~~:~~//en.wikipedia.org/wiki/Purine~~-~~nucleoside_phosphorylase Purine~~-~~nucleoside phosphorylase]~~, ~~with EC number [https://www.brenda-enzymes.info/php/result_flat.php4?ecno=~~2.4.2~~.1 2.~~4~~.2.1]~~ </~~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=3e0q FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3e0q OCA], [https://pdbe.org/3e0q PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3e0q RCSB], [https://www.ebi.ac.uk/pdbsum/3e0q PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3e0q 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=3e0q FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3e0q OCA], [https://pdbe.org/3e0q PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3e0q RCSB], [https://www.ebi.ac.uk/pdbsum/3e0q PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3e0q ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
-	[[https://www.uniprot.org/uniprot/Q9BMI9_SCHMA Q9BMI9_SCHMA]] The purine nucleoside phosphorylases catalyze the phosphorolytic breakdown of the N-glycosidic bond in the beta-(deoxy)ribonucleoside molecules, with the formation of the corresponding free purine bases and pentose-1-phosphate (By similarity).[PIRNR:PIRNR000477]	+	[https://www.uniprot.org/uniprot/Q9BMI9_SCHMA Q9BMI9_SCHMA] The purine nucleoside phosphorylases catalyze the phosphorolytic breakdown of the N-glycosidic bond in the beta-(deoxy)ribonucleoside molecules, with the formation of the corresponding free purine bases and pentose-1-phosphate (By similarity).[PIRNR:PIRNR000477]
	== Evolutionary Conservation ==		== Evolutionary Conservation ==
	[[Image:Consurf_key_small.gif\|200px\|right]]		[[Image:Consurf_key_small.gif\|200px\|right]]
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	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: Blood fluke]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: ~~Purine-nucleoside phosphorylase~~]]	+	[[Category: Schistosoma mansoni]]
-	[[Category: Berdini, V]]	+	[[Category: Berdini V]]
-	[[Category: Cleasby, A]]	+	[[Category: Cleasby A]]
-	[[Category: Ferri~~, M R~~]]	+	[[Category: Ferri MR]]
-	[[Category: Garratt~~, R C~~]]	+	[[Category: Garratt RC]]
-	[[Category: Pereira~~, H M]]~~	+	[[Category: Pereira HM]]
-	~~[[Category: Glycosyltransferase]]~~	+
-	~~[[Category: Monocyclic inhibitor]]~~	+
-	~~[[Category: Transferase~~]]	+

OCA at 08:12, 9 February 2022

OCA — Wed, 09 Feb 2022 08:12:27 GMT

←Older revision		Revision as of 08:12, 9 February 2022
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	==Crystal structure of Schistosoma mansoni purine nucleoside phosphorylase complexed with a novel monocyclic inhibitor==		==Crystal structure of Schistosoma mansoni purine nucleoside phosphorylase complexed with a novel monocyclic inhibitor==
-	<StructureSection load='3e0q' size='340' side='right' caption='[[3e0q]], [[Resolution\|resolution]] 1.90Å' scene=''>	+	<StructureSection load='3e0q' size='340' side='right'caption='[[3e0q]], [[Resolution\|resolution]] 1.90Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[3e0q]] is a 3 chain structure with sequence from [~~http~~://en.wikipedia.org/wiki/Blood_fluke Blood fluke]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3E0Q OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=3E0Q FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[3e0q]] is a 3 chain structure with sequence from [https://en.wikipedia.org/wiki/Blood_fluke Blood fluke]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3E0Q OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3E0Q 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=JFD:6-AMINO-5-BROMO-1,2,3,4-TETRAHYDROPYRIMIDINE-2,4-DIONE'>JFD</scene></td></tr>	+	</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=JFD:6-AMINO-5-BROMO-1,2,3,4-TETRAHYDROPYRIMIDINE-2,4-DIONE'>JFD</scene></td></tr>
-	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1tcv\|1tcv]], [[1tcu\|1tcu]], [[1td1\|1td1]]</td></tr>	+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat"><div style='overflow: auto; max-height: 3em;'>[[1tcv\|1tcv]], [[1tcu\|1tcu]], [[1td1\|1td1]]</div></td></tr>
-	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">SmPNP ([~~http~~://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=6183 Blood fluke])</td></tr>	+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">SmPNP ([https://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=6183 Blood fluke])</td></tr>
-	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[~~http~~://en.wikipedia.org/wiki/Purine-nucleoside_phosphorylase Purine-nucleoside phosphorylase], with EC number [~~http~~://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.4.2.1 2.4.2.1] </span></td></tr>	+	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[https://en.wikipedia.org/wiki/Purine-nucleoside_phosphorylase Purine-nucleoside phosphorylase], with EC number [https://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.4.2.1 2.4.2.1] </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=3e0q FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3e0q OCA], [~~http~~://pdbe.org/3e0q PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=3e0q RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/3e0q PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=3e0q 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=3e0q FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3e0q OCA], [https://pdbe.org/3e0q PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3e0q RCSB], [https://www.ebi.ac.uk/pdbsum/3e0q PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3e0q ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
-	[[~~http~~://www.uniprot.org/uniprot/Q9BMI9_SCHMA Q9BMI9_SCHMA]] The purine nucleoside phosphorylases catalyze the phosphorolytic breakdown of the N-glycosidic bond in the beta-(deoxy)ribonucleoside molecules, with the formation of the corresponding free purine bases and pentose-1-phosphate (By similarity).[PIRNR:PIRNR000477]	+	[[https://www.uniprot.org/uniprot/Q9BMI9_SCHMA Q9BMI9_SCHMA]] The purine nucleoside phosphorylases catalyze the phosphorolytic breakdown of the N-glycosidic bond in the beta-(deoxy)ribonucleoside molecules, with the formation of the corresponding free purine bases and pentose-1-phosphate (By similarity).[PIRNR:PIRNR000477]
	== Evolutionary Conservation ==		== Evolutionary Conservation ==
	[[Image:Consurf_key_small.gif\|200px\|right]]		[[Image:Consurf_key_small.gif\|200px\|right]]
Line 33:		Line 33:

	==See Also==		==See Also==
-	*[[Purine nucleoside phosphorylase\|Purine nucleoside phosphorylase]]	+	*[[Purine nucleoside phosphorylase 3D structures\|Purine nucleoside phosphorylase 3D structures]]
	== References ==		== References ==
	<references/>		<references/>
Line 39:		Line 39:
	</StructureSection>		</StructureSection>
	[[Category: Blood fluke]]		[[Category: Blood fluke]]
		+	[[Category: Large Structures]]
	[[Category: Purine-nucleoside phosphorylase]]		[[Category: Purine-nucleoside phosphorylase]]
	[[Category: Berdini, V]]		[[Category: Berdini, V]]

OCA at 09:13, 14 November 2018

OCA — Wed, 14 Nov 2018 09:13:09 GMT

←Older revision		Revision as of 09:13, 14 November 2018
Line 1:		Line 1:
		+
	==Crystal structure of Schistosoma mansoni purine nucleoside phosphorylase complexed with a novel monocyclic inhibitor==		==Crystal structure of Schistosoma mansoni purine nucleoside phosphorylase complexed with a novel monocyclic inhibitor==
	<StructureSection load='3e0q' size='340' side='right' caption='[[3e0q]], [[Resolution\|resolution]] 1.90Å' scene=''>		<StructureSection load='3e0q' size='340' side='right' caption='[[3e0q]], [[Resolution\|resolution]] 1.90Å' scene=''>
Line 7:		Line 8:
	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">SmPNP ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=6183 Blood fluke])</td></tr>		<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">SmPNP ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=6183 Blood fluke])</td></tr>
	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Purine-nucleoside_phosphorylase Purine-nucleoside phosphorylase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.4.2.1 2.4.2.1] </span></td></tr>		<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Purine-nucleoside_phosphorylase Purine-nucleoside phosphorylase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.4.2.1 2.4.2.1] </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=3e0q FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3e0q OCA], [http://pdbe.org/3e0q PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=3e0q RCSB], [http://www.ebi.ac.uk/pdbsum/3e0q 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=3e0q FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3e0q OCA], [http://pdbe.org/3e0q PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=3e0q RCSB], [http://www.ebi.ac.uk/pdbsum/3e0q PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=3e0q ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
Line 15:		Line 16:
	Check<jmol>		Check<jmol>
	<jmolCheckbox>		<jmolCheckbox>
-	<scriptWhenChecked>select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/e0/3e0q_consurf.spt"</scriptWhenChecked>	+	<scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/e0/3e0q_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>

OCA at 07:09, 9 February 2016

OCA — Tue, 09 Feb 2016 07:09:42 GMT

←Older revision		Revision as of 07:09, 9 February 2016
Line 2:		Line 2:
	<StructureSection load='3e0q' size='340' side='right' caption='[[3e0q]], [[Resolution\|resolution]] 1.90Å' scene=''>		<StructureSection load='3e0q' size='340' side='right' caption='[[3e0q]], [[Resolution\|resolution]] 1.90Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[3e0q]] is a 3 chain structure with sequence from [http://en.wikipedia.org/wiki/~~Schistosoma_mansoni Schistosoma mansoni~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3E0Q OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3E0Q FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[3e0q]] is a 3 chain structure with sequence from [http://en.wikipedia.org/wiki/Blood_fluke Blood fluke]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3E0Q OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3E0Q 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=JFD:6-AMINO-5-BROMO-1,2,3,4-TETRAHYDROPYRIMIDINE-2,4-DIONE'>JFD</scene></td></tr>		</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=JFD:6-AMINO-5-BROMO-1,2,3,4-TETRAHYDROPYRIMIDINE-2,4-DIONE'>JFD</scene></td></tr>
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1tcv\|1tcv]], [[1tcu\|1tcu]], [[1td1\|1td1]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1tcv\|1tcv]], [[1tcu\|1tcu]], [[1td1\|1td1]]</td></tr>
-	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">SmPNP ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=6183 ~~Schistosoma mansoni~~])</td></tr>	+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">SmPNP ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=6183 Blood fluke])</td></tr>
	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Purine-nucleoside_phosphorylase Purine-nucleoside phosphorylase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.4.2.1 2.4.2.1] </span></td></tr>		<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Purine-nucleoside_phosphorylase Purine-nucleoside phosphorylase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.4.2.1 2.4.2.1] </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=3e0q FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3e0q OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3e0q RCSB], [http://www.ebi.ac.uk/pdbsum/3e0q 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=3e0q FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3e0q OCA], [http://pdbe.org/3e0q PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=3e0q RCSB], [http://www.ebi.ac.uk/pdbsum/3e0q PDBsum]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
Line 19:		Line 19:
	<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=3e0q ConSurf].
	<div style="clear:both"></div>		<div style="clear:both"></div>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
Line 29:		Line 29:
	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 3e0q" style="background-color:#fffaf0;"></div>

	==See Also==		==See Also==
Line 36:		Line 37:
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: Blood fluke]]
	[[Category: Purine-nucleoside phosphorylase]]		[[Category: Purine-nucleoside phosphorylase]]
-	[[Category: Schistosoma mansoni]]
	[[Category: Berdini, V]]		[[Category: Berdini, V]]
	[[Category: Cleasby, A]]		[[Category: Cleasby, A]]

OCA at 05:15, 25 December 2014

OCA — Thu, 25 Dec 2014 05:15:18 GMT

←Older revision		Revision as of 05:15, 25 December 2014
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	<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=3e0q FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3e0q OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3e0q RCSB], [http://www.ebi.ac.uk/pdbsum/3e0q 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=3e0q FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3e0q OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3e0q RCSB], [http://www.ebi.ac.uk/pdbsum/3e0q PDBsum]</span></td></tr>
	</table>		</table>
		+	== Function ==
		+	[[http://www.uniprot.org/uniprot/Q9BMI9_SCHMA Q9BMI9_SCHMA]] The purine nucleoside phosphorylases catalyze the phosphorolytic breakdown of the N-glycosidic bond in the beta-(deoxy)ribonucleoside molecules, with the formation of the corresponding free purine bases and pentose-1-phosphate (By similarity).[PIRNR:PIRNR000477]
	== Evolutionary Conservation ==		== Evolutionary Conservation ==
	[[Image:Consurf_key_small.gif\|200px\|right]]		[[Image:Consurf_key_small.gif\|200px\|right]]

OCA at 13:14, 19 November 2014

OCA — Wed, 19 Nov 2014 13:14:11 GMT

←Older revision		Revision as of 13:14, 19 November 2014
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-	[[~~Image:~~3e0q.~~png~~\|~~left~~\|200px]]	+	==Crystal structure of Schistosoma mansoni purine nucleoside phosphorylase complexed with a novel monocyclic inhibitor==
		+	<StructureSection load='3e0q' size='340' side='right' caption='[[3e0q]], [[Resolution\|resolution]] 1.90Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[3e0q]] is a 3 chain structure with sequence from [http://en.wikipedia.org/wiki/Schistosoma_mansoni Schistosoma mansoni]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3E0Q OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3E0Q 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=JFD:6-AMINO-5-BROMO-1,2,3,4-TETRAHYDROPYRIMIDINE-2,4-DIONE'>JFD</scene></td></tr>
		+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1tcv\|1tcv]], [[1tcu\|1tcu]], [[1td1\|1td1]]</td></tr>
		+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">SmPNP ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=6183 Schistosoma mansoni])</td></tr>
		+	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Purine-nucleoside_phosphorylase Purine-nucleoside phosphorylase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.4.2.1 2.4.2.1] </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=3e0q FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3e0q OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3e0q RCSB], [http://www.ebi.ac.uk/pdbsum/3e0q 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/e0/3e0q_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 ==
		+	A novel inhibitor of Schistosoma PNP was identified using an "in silico" approach allied to enzyme inhibition assays. The compound has a monocyclic structure which has not been previously described for PNP inhibitors. The crystallographic structure of the complex was determined and used to elucidate the binding mode within the active site. Furthermore, the predicted pose was very similar to that determined crystallographically, validating the methodology. The compound Sm_VS1, despite its low molecular weight, possesses an IC(50) of 1.3 microM, surprisingly low when compared with purine analogues. This is presumably due to the formation of eight hydrogen bonds with key residues in the active site E203, N245 and T244. The results of this study highlight the importance of the use of multiple conformations for the target during virtual screening. Indeed the Sm_VS1 compound was only identified after flipping the N245 side chain. It is expected that the structure will be of use in the development of new highly active non-purine based compounds against the Schistosoma enzyme.

-	~~{{STRUCTURE_3e0q\| PDB=3e0q \| SCENE= }}~~	+	Crystal structure of Schistosoma purine nucleoside phosphorylase complexed with a novel monocyclic inhibitor.,Pereira HM, Berdini V, Ferri MR, Cleasby A, Garratt RC Acta Trop. 2010 May;114(2):97-102. Epub 2010 Feb 1. PMID:20122887<ref>PMID:20122887</ref>

-	~~===Crystal structure of Schistosoma mansoni purine nucleoside phosphorylase complexed with~~ a ~~novel monocyclic inhibitor===~~	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
		+	</div>

-	~~{{ABSTRACT_PUBMED_20122887}}~~	+	==See Also==
-		+	*[[Purine nucleoside phosphorylase\|Purine nucleoside phosphorylase]]
-	==~~About this Structure~~==	+	== References ==
-	[[~~3e0q~~]] is a 3 chain structure with sequence from [http://en.wikipedia.org/wiki/Schistosoma_mansoni Schistosoma mansoni]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3E0Q OCA].	+	<references/>
-		+	__TOC__
-	==~~Reference~~==	+	</StructureSection>
-	<~~ref group="xtra">PMID:020122887<~~/~~ref~~><~~ref group="xtra">PMID:016182308</ref><references group="xtra"~~/>	+
	[[Category: Purine-nucleoside phosphorylase]]		[[Category: Purine-nucleoside phosphorylase]]
	[[Category: Schistosoma mansoni]]		[[Category: Schistosoma mansoni]]
-	[[Category: Berdini, V.]]	+	[[Category: Berdini, V]]
-	[[Category: Cleasby, A.]]	+	[[Category: Cleasby, A]]
-	[[Category: Ferri, M R.]]	+	[[Category: Ferri, M R]]
-	[[Category: Garratt, R C.]]	+	[[Category: Garratt, R C]]
-	[[Category: Pereira, H M.]]	+	[[Category: Pereira, H M]]
	[[Category: Glycosyltransferase]]		[[Category: Glycosyltransferase]]
	[[Category: Monocyclic inhibitor]]		[[Category: Monocyclic inhibitor]]
	[[Category: Transferase]]		[[Category: Transferase]]

OCA at 13:17, 6 February 2013

OCA — Wed, 06 Feb 2013 13:17:26 GMT

←Older revision		Revision as of 13:17, 6 February 2013
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	[[Image:3e0q.png\|left\|200px]]		[[Image:3e0q.png\|left\|200px]]

-	<!--
-	The line below this paragraph, containing "STRUCTURE_3e0q", creates the "Structure Box" on the page.
-	You may change the PDB parameter (which sets the PDB file loaded into the applet)
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	{{STRUCTURE_3e0q\| PDB=3e0q \| SCENE= }}		{{STRUCTURE_3e0q\| PDB=3e0q \| SCENE= }}

	===Crystal structure of Schistosoma mansoni purine nucleoside phosphorylase complexed with a novel monocyclic inhibitor===		===Crystal structure of Schistosoma mansoni purine nucleoside phosphorylase complexed with a novel monocyclic inhibitor===

-
-	<!--
-	The line below this paragraph, {{ABSTRACT_PUBMED_20122887}}, adds the Publication Abstract to the page
-	(as it appears on PubMed at http://www.pubmed.gov), where 20122887 is the PubMed ID number.
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	{{ABSTRACT_PUBMED_20122887}}		{{ABSTRACT_PUBMED_20122887}}

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	==Reference==		==Reference==
-	<ref group="xtra">PMID:~~20122887~~</ref><ref group="xtra">PMID:~~16182308~~</ref><references group="xtra"/>	+	<ref group="xtra">PMID:020122887</ref><ref group="xtra">PMID:016182308</ref><references group="xtra"/>
	[[Category: Purine-nucleoside phosphorylase]]		[[Category: Purine-nucleoside phosphorylase]]
	[[Category: Schistosoma mansoni]]		[[Category: Schistosoma mansoni]]

OCA: Protected "3e0q" [edit=sysop:move=sysop]

OCA — Mon, 14 Mar 2011 19:33:13 GMT

Protected "3e0q" [edit=sysop:move=sysop]

←Older revision

Revision as of 19:33, 14 March 2011

OCA at 19:33, 14 March 2011

OCA — Mon, 14 Mar 2011 19:33:10 GMT

←Older revision		Revision as of 19:33, 14 March 2011
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-	{{Seed}}
	[[Image:3e0q.png\|left\|200px]]		[[Image:3e0q.png\|left\|200px]]

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	==About this Structure==		==About this Structure==
-	~~3E0Q~~ is a 3 ~~chains~~ structure with ~~sequences~~ from [http://en.wikipedia.org/wiki/Schistosoma_mansoni Schistosoma mansoni]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3E0Q OCA].	+	[[3e0q]] is a 3 chain structure with sequence from [http://en.wikipedia.org/wiki/Schistosoma_mansoni Schistosoma mansoni]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3E0Q OCA].

	==Reference==		==Reference==
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	[[Category: Monocyclic inhibitor]]		[[Category: Monocyclic inhibitor]]
	[[Category: Transferase]]		[[Category: Transferase]]
-
-	''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Wed Mar 24 08:24:10 2010''

OCA at 06:24, 24 March 2010

OCA — Wed, 24 Mar 2010 06:24:11 GMT

←Older revision		Revision as of 06:24, 24 March 2010
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	{{Seed}}		{{Seed}}
-	[[Image:3e0q.~~jpg~~\|left\|200px]]	+	[[Image:3e0q.png\|left\|200px]]

	<!--		<!--
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	===Crystal structure of Schistosoma mansoni purine nucleoside phosphorylase complexed with a novel monocyclic inhibitor===		===Crystal structure of Schistosoma mansoni purine nucleoside phosphorylase complexed with a novel monocyclic inhibitor===

		+
		+	<!--
		+	The line below this paragraph, {{ABSTRACT_PUBMED_20122887}}, adds the Publication Abstract to the page
		+	(as it appears on PubMed at http://www.pubmed.gov), where 20122887 is the PubMed ID number.
		+	-->
		+	{{ABSTRACT_PUBMED_20122887}}

	==About this Structure==		==About this Structure==
-	3E0Q is a 3 chains structure of sequences from [http://en.wikipedia.org/wiki/Schistosoma_mansoni Schistosoma mansoni]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3E0Q OCA].	+	3E0Q is a 3 chains structure with sequences from [http://en.wikipedia.org/wiki/Schistosoma_mansoni Schistosoma mansoni]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3E0Q OCA].

	==Reference==		==Reference==
-	<ref group="xtra">PMID:16182308</ref><references group="xtra"/>	+	<ref group="xtra">PMID:20122887</ref><ref group="xtra">PMID:16182308</ref><references group="xtra"/>
	[[Category: Purine-nucleoside phosphorylase]]		[[Category: Purine-nucleoside phosphorylase]]
	[[Category: Schistosoma mansoni]]		[[Category: Schistosoma mansoni]]
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	[[Category: Transferase]]		[[Category: Transferase]]

-	''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Wed ~~Aug 19 13~~:26:~~50 2009~~''	+	''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Wed Mar 24 08:24:10 2010''