3i6r - Revision history

OCA at 07:39, 6 September 2023

OCA — Wed, 06 Sep 2023 07:39:31 GMT

←Older revision		Revision as of 07:39, 6 September 2023
Line 3:		Line 3:
	<StructureSection load='3i6r' size='340' side='right'caption='[[3i6r]], [[Resolution\|resolution]] 2.50Å' scene=''>		<StructureSection load='3i6r' size='340' side='right'caption='[[3i6r]], [[Resolution\|resolution]] 2.50Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[3i6r]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/~~Plaf7 Plaf7~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3I6R OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3I6R FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[3i6r]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Plasmodium_falciparum_3D7 Plasmodium falciparum 3D7]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3I6R OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3I6R FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=FMN:FLAVIN+MONONUCLEOTIDE'>FMN</scene>, <scene name='pdbligand=J5Z:5-METHYL-N-[4-(TRIFLUOROMETHYL)PHENYL][1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-7-AMINE'>J5Z</scene>, <scene name='pdbligand=ORO:OROTIC+ACID'>ORO</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]] 2.5Å</td></tr>
-	~~<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat"><div style='overflow: auto; max-height: 3em;'>[[3i65\|3i65]], [[3i68\|3i68]]</div></td></tr>~~	+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=FMN:FLAVIN+MONONUCLEOTIDE'>FMN</scene>, <scene name='pdbligand=J5Z:5-METHYL-N-[4-(TRIFLUOROMETHYL)PHENYL][1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-7-AMINE'>J5Z</scene>, <scene name='pdbligand=ORO:OROTIC+ACID'>ORO</scene></td></tr>
-	~~<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">PFF0160c ([https://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=36329 PLAF7])</td></tr>~~	+
-	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[https://en.wikipedia.org/wiki/Dihydroorotate_oxidase_(fumarate) Dihydroorotate oxidase (fumarate)], with EC number [https://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.3.98.1 1.3.98.1] </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=3i6r FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3i6r OCA], [https://pdbe.org/3i6r PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3i6r RCSB], [https://www.ebi.ac.uk/pdbsum/3i6r PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3i6r 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=3i6r FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3i6r OCA], [https://pdbe.org/3i6r PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3i6r RCSB], [https://www.ebi.ac.uk/pdbsum/3i6r PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3i6r ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
-	[[https://www.uniprot.org/uniprot/PYRD_PLAF7 PYRD_PLAF7]] Catalyzes the conversion of dihydroorotate to orotate with quinone as electron acceptor.	+	[https://www.uniprot.org/uniprot/PYRD_PLAF7 PYRD_PLAF7] Catalyzes the conversion of dihydroorotate to orotate with quinone as electron acceptor.
	== Evolutionary Conservation ==		== Evolutionary Conservation ==
	[[Image:Consurf_key_small.gif\|200px\|right]]		[[Image:Consurf_key_small.gif\|200px\|right]]
Line 39:		Line 37:
	</StructureSection>		</StructureSection>
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: ~~Plaf7~~]]	+	[[Category: Plasmodium falciparum 3D7]]
-	[[Category: Deng, X]]	+	[[Category: Deng X]]
-	[[Category: Phillips~~, M A]]~~	+	[[Category: Phillips MA]]
-	~~[[Category: Dihydroorotate dehydrogenase]]~~	+
-	~~[[Category: Dsm74]]~~	+
-	~~[[Category: Fad]]~~	+
-	~~[[Category: Flavoprotein]]~~	+
-	~~[[Category: Inhibitor]]~~	+
-	~~[[Category: Membrane]]~~	+
-	~~[[Category: Mitochondrion]]~~	+
-	~~[[Category: Mitochondrion inner membrane]]~~	+
-	~~[[Category: Oxidoreductase]]~~	+
-	~~[[Category: Plasmodium falciparum]]~~	+
-	~~[[Category: Pyrimidine biosynthesis]]~~	+
-	~~[[Category: Transit peptide]]~~	+
-	~~[[Category: Triazolopyrimidine~~]]	+

OCA at 10:59, 13 April 2022

OCA — Wed, 13 Apr 2022 10:59:24 GMT

←Older revision		Revision as of 10:59, 13 April 2022
Line 1:		Line 1:

	==Plasmodium falciparum dihydroorotate dehydrogenase bound with triazolopyrimidine-based inhibitor DSM74==		==Plasmodium falciparum dihydroorotate dehydrogenase bound with triazolopyrimidine-based inhibitor DSM74==
-	<StructureSection load='3i6r' size='340' side='right' caption='[[3i6r]], [[Resolution\|resolution]] 2.50Å' scene=''>	+	<StructureSection load='3i6r' size='340' side='right'caption='[[3i6r]], [[Resolution\|resolution]] 2.50Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[3i6r]] is a 1 chain structure with sequence from [~~http~~://en.wikipedia.org/wiki/Plaf7 Plaf7]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3I6R OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=3I6R FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[3i6r]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Plaf7 Plaf7]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3I6R OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3I6R FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=FMN:FLAVIN+MONONUCLEOTIDE'>FMN</scene>, <scene name='pdbligand=J5Z:5-METHYL-N-[4-(TRIFLUOROMETHYL)PHENYL][1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-7-AMINE'>J5Z</scene>, <scene name='pdbligand=ORO:OROTIC+ACID'>ORO</scene></td></tr>	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=FMN:FLAVIN+MONONUCLEOTIDE'>FMN</scene>, <scene name='pdbligand=J5Z:5-METHYL-N-[4-(TRIFLUOROMETHYL)PHENYL][1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-7-AMINE'>J5Z</scene>, <scene name='pdbligand=ORO:OROTIC+ACID'>ORO</scene></td></tr>
-	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[3i65\|3i65]], [[3i68\|3i68]]</td></tr>	+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat"><div style='overflow: auto; max-height: 3em;'>[[3i65\|3i65]], [[3i68\|3i68]]</div></td></tr>
-	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">PFF0160c ([~~http~~://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=36329 PLAF7])</td></tr>	+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">PFF0160c ([https://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=36329 PLAF7])</td></tr>
-	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[~~http~~://en.wikipedia.org/wiki/Dihydroorotate_oxidase_(fumarate) Dihydroorotate oxidase (fumarate)], with EC number [~~http~~://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.3.98.1 1.3.98.1] </span></td></tr>	+	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[https://en.wikipedia.org/wiki/Dihydroorotate_oxidase_(fumarate) Dihydroorotate oxidase (fumarate)], with EC number [https://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.3.98.1 1.3.98.1] </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=3i6r FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3i6r OCA], [~~http~~://pdbe.org/3i6r PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=3i6r RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/3i6r PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=3i6r 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=3i6r FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3i6r OCA], [https://pdbe.org/3i6r PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3i6r RCSB], [https://www.ebi.ac.uk/pdbsum/3i6r PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3i6r ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
-	[[~~http~~://www.uniprot.org/uniprot/PYRD_PLAF7 PYRD_PLAF7]] Catalyzes the conversion of dihydroorotate to orotate with quinone as electron acceptor.	+	[[https://www.uniprot.org/uniprot/PYRD_PLAF7 PYRD_PLAF7]] Catalyzes the conversion of dihydroorotate to orotate with quinone as electron acceptor.
	== 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==
-	*[[Dihydroorotate dehydrogenase\|Dihydroorotate dehydrogenase]]	+	*[[Dihydroorotate dehydrogenase 3D structures\|Dihydroorotate dehydrogenase 3D structures]]
	== References ==		== References ==
	<references/>		<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: Large Structures]]
	[[Category: Plaf7]]		[[Category: Plaf7]]
	[[Category: Deng, X]]		[[Category: Deng, X]]

OCA at 10:06, 19 December 2018

OCA — Wed, 19 Dec 2018 10:06:54 GMT

←Older revision		Revision as of 10:06, 19 December 2018
Line 16:		Line 16:
	Check<jmol>		Check<jmol>
	<jmolCheckbox>		<jmolCheckbox>
-	<scriptWhenChecked>select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/i6/3i6r_consurf.spt"</scriptWhenChecked>	+	<scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/i6/3i6r_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>
Line 40:		Line 40:
	[[Category: Plaf7]]		[[Category: Plaf7]]
	[[Category: Deng, X]]		[[Category: Deng, X]]
-	[[Category: Phillips,M A]]	+	[[Category: Phillips, M A]]
	[[Category: Dihydroorotate dehydrogenase]]		[[Category: Dihydroorotate dehydrogenase]]
	[[Category: Dsm74]]		[[Category: Dsm74]]

OCA at 23:19, 5 August 2016

OCA — Fri, 05 Aug 2016 23:19:22 GMT

←Older revision		Revision as of 23:19, 5 August 2016
Line 1:		Line 1:
		+
	==Plasmodium falciparum dihydroorotate dehydrogenase bound with triazolopyrimidine-based inhibitor DSM74==		==Plasmodium falciparum dihydroorotate dehydrogenase bound with triazolopyrimidine-based inhibitor DSM74==
	<StructureSection load='3i6r' size='340' side='right' caption='[[3i6r]], [[Resolution\|resolution]] 2.50Å' scene=''>		<StructureSection load='3i6r' size='340' side='right' caption='[[3i6r]], [[Resolution\|resolution]] 2.50Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[3i6r]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/~~Plasmodium_falciparum_3d7 Plasmodium falciparum 3d7~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3I6R OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3I6R FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[3i6r]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Plaf7 Plaf7]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3I6R OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3I6R FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=FMN:FLAVIN+MONONUCLEOTIDE'>FMN</scene>, <scene name='pdbligand=J5Z:5-METHYL-N-[4-(TRIFLUOROMETHYL)PHENYL][1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-7-AMINE'>J5Z</scene>, <scene name='pdbligand=ORO:OROTIC+ACID'>ORO</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=FMN:FLAVIN+MONONUCLEOTIDE'>FMN</scene>, <scene name='pdbligand=J5Z:5-METHYL-N-[4-(TRIFLUOROMETHYL)PHENYL][1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-7-AMINE'>J5Z</scene>, <scene name='pdbligand=ORO:OROTIC+ACID'>ORO</scene></td></tr>
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[3i65\|3i65]], [[3i68\|3i68]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[3i65\|3i65]], [[3i68\|3i68]]</td></tr>
-	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">PFF0160c ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=36329 ~~Plasmodium falciparum 3D7~~])</td></tr>	+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">PFF0160c ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=36329 PLAF7])</td></tr>
-	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/~~Dihydroorotate_oxidase~~ Dihydroorotate oxidase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.3.3.1 1.3.3.1] </span></td></tr>	+	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Dihydroorotate_oxidase_(fumarate) Dihydroorotate oxidase (fumarate)], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.3.98.1 1.3.98.1] </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=3i6r FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3i6r OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3i6r RCSB], [http://www.ebi.ac.uk/pdbsum/3i6r 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=3i6r FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3i6r OCA], [http://pdbe.org/3i6r PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=3i6r RCSB], [http://www.ebi.ac.uk/pdbsum/3i6r PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=3i6r ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
Line 19:		Line 20:
	<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=3i6r ConSurf].
	<div style="clear:both"></div>		<div style="clear:both"></div>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
Line 29:		Line 30:
	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 3i6r" style="background-color:#fffaf0;"></div>

	==See Also==		==See Also==
Line 36:		Line 38:
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: ~~Dihydroorotate oxidase]]~~	+	[[Category: Plaf7]]
-	~~[[Category: Plasmodium falciparum 3d7~~]]	+
	[[Category: Deng, X]]		[[Category: Deng, X]]
	[[Category: Phillips,M A]]		[[Category: Phillips,M A]]

OCA at 22:48, 25 December 2014

OCA — Thu, 25 Dec 2014 22:48:03 GMT

←Older revision		Revision as of 22:48, 25 December 2014
Line 9:		Line 9:
	<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=3i6r FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3i6r OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3i6r RCSB], [http://www.ebi.ac.uk/pdbsum/3i6r 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=3i6r FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3i6r OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3i6r RCSB], [http://www.ebi.ac.uk/pdbsum/3i6r PDBsum]</span></td></tr>
	</table>		</table>
		+	== Function ==
		+	[[http://www.uniprot.org/uniprot/PYRD_PLAF7 PYRD_PLAF7]] Catalyzes the conversion of dihydroorotate to orotate with quinone as electron acceptor.
	== Evolutionary Conservation ==		== Evolutionary Conservation ==
	[[Image:Consurf_key_small.gif\|200px\|right]]		[[Image:Consurf_key_small.gif\|200px\|right]]

OCA at 17:55, 18 December 2014

OCA — Thu, 18 Dec 2014 17:55:45 GMT

←Older revision		Revision as of 17:55, 18 December 2014
Line 1:		Line 1:
-	~~{{STRUCTURE_3i6r~~\| ~~PDB~~=3i6r \| ~~SCENE~~= }}	+	==Plasmodium falciparum dihydroorotate dehydrogenase bound with triazolopyrimidine-based inhibitor DSM74==
-	===Plasmodium falciparum dihydroorotate dehydrogenase bound with triazolopyrimidine-~~based~~ inhibitor ~~DSM74===~~	+	<StructureSection load='3i6r' size='340' side='right' caption='[[3i6r]], [[Resolution\|resolution]] 2.50Å' scene=''>
-	~~{{ABSTRACT_PUBMED_19640844}}~~	+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[3i6r]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Plasmodium_falciparum_3d7 Plasmodium falciparum 3d7]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3I6R OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3I6R FirstGlance]. <br>
		+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=FMN:FLAVIN+MONONUCLEOTIDE'>FMN</scene>, <scene name='pdbligand=J5Z:5-METHYL-N-[4-(TRIFLUOROMETHYL)PHENYL][1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-7-AMINE'>J5Z</scene>, <scene name='pdbligand=ORO:OROTIC+ACID'>ORO</scene></td></tr>
		+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[3i65\|3i65]], [[3i68\|3i68]]</td></tr>
		+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">PFF0160c ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=36329 Plasmodium falciparum 3D7])</td></tr>
		+	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Dihydroorotate_oxidase Dihydroorotate oxidase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.3.3.1 1.3.3.1] </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=3i6r FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3i6r OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3i6r RCSB], [http://www.ebi.ac.uk/pdbsum/3i6r 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/i6/3i6r_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 ==
		+	Malaria remains a major global health burden and current drug therapies are compromised by resistance. Plasmodium falciparum dihydroorotate dehydrogenase (PfDHODH) was validated as a new drug target through the identification of potent and selective triazolopyrimidine-based DHODH inhibitors with anti-malarial activity in vivo. Here we report x-ray structure determination of PfDHODH bound to three inhibitors from this series, representing the first of the enzyme bound to malaria specific inhibitors. We demonstrate that conformational flexibility results in an unexpected binding mode identifying a new hydrophobic pocket on the enzyme. Importantly this plasticity allows PfDHODH to bind inhibitors from different chemical classes and to accommodate inhibitor modifications during lead optimization, increasing the value of PfDHODH as a drug target. A second discovery, based on small molecule crystallography, is that the triazolopyrimidines populate a resonance form that promotes charge separation. These intrinsic dipoles allow formation of energetically favorable H-bond interactions with the enzyme. The importance of delocalization to binding affinity was supported by site-directed mutagenesis and the demonstration that triazolopyrimidine analogs that lack this intrinsic dipole are inactive. Finally, the PfDHODH-triazolopyrimidine bound structures provide considerable new insight into species-selective inhibitor binding in this enzyme family. Together, these studies will directly impact efforts to exploit PfDHODH for the development of anti-malarial chemotherapy.

-	~~==Function==~~	+	Structural plasticity of malaria dihydroorotate dehydrogenase allows selective binding of diverse chemical scaffolds.,Deng X, Gujjar R, El Mazouni F, Kaminsky W, Malmquist NA, Goldsmith EJ, Rathod PK, Phillips MA J Biol Chem. 2009 Sep 25;284(39):26999-7009. Epub 2009 Jul 28. PMID:19640844<ref>PMID:19640844</ref>
-	~~[[http~~:~~//www~~.~~uniprot~~.~~org/uniprot~~/~~PYRD_PLAF7 PYRD_PLAF7]] Catalyzes the conversion of dihydroorotate to orotate with quinone as electron acceptor.~~	+

-	~~==About this Structure==~~	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-	~~[[3i6r]] is~~ a ~~1 chain structure with sequence from [http://en~~.~~wikipedia~~.~~org/wiki/Plasmodium_falciparum_3d7 Plasmodium falciparum 3d7]~~. ~~Full crystallographic information is available from [http:~~/~~/oca.weizmann.ac.il/oca-bin/ocashort?id=3I6R OCA].~~	+	</div>

-	==~~Reference~~==	+	==See Also==
-	~~<ref group~~=~~"xtra">PMID:019640844</ref>~~<references ~~group="xtra"~~/><~~references~~/>	+	*[[Dihydroorotate dehydrogenase\|Dihydroorotate dehydrogenase]]
		+	== References ==
		+	<references/>
		+	__TOC__
		+	</StructureSection>
	[[Category: Dihydroorotate oxidase]]		[[Category: Dihydroorotate oxidase]]
	[[Category: Plasmodium falciparum 3d7]]		[[Category: Plasmodium falciparum 3d7]]
-	[[Category: Deng, X.]]	+	[[Category: Deng, X]]
-	[[Category: Phillips,M A.]]	+	[[Category: Phillips,M A]]
	[[Category: Dihydroorotate dehydrogenase]]		[[Category: Dihydroorotate dehydrogenase]]
	[[Category: Dsm74]]		[[Category: Dsm74]]

OCA at 09:35, 27 March 2013

OCA — Wed, 27 Mar 2013 09:35:26 GMT

←Older revision		Revision as of 09:35, 27 March 2013
Line 1:		Line 1:
-	[[Image:3i6r.png\|left\|200px]]
-
-	<!--
-	The line below this paragraph, containing "STRUCTURE_3i6r", creates the "Structure Box" on the page.
-	You may change the PDB parameter (which sets the PDB file loaded into the applet)
-	or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
-	or leave the SCENE parameter empty for the default display.
-	-->
	{{STRUCTURE_3i6r\| PDB=3i6r \| SCENE= }}		{{STRUCTURE_3i6r\| PDB=3i6r \| SCENE= }}
-
	===Plasmodium falciparum dihydroorotate dehydrogenase bound with triazolopyrimidine-based inhibitor DSM74===		===Plasmodium falciparum dihydroorotate dehydrogenase bound with triazolopyrimidine-based inhibitor DSM74===
		+	{{ABSTRACT_PUBMED_19640844}}

-		+	==Function==
-	~~<!--~~	+	[[http://www.uniprot.org/uniprot/PYRD_PLAF7 PYRD_PLAF7]] Catalyzes the conversion of dihydroorotate to orotate with quinone as electron acceptor.
-	~~The line below this paragraph, {{ABSTRACT_PUBMED_19640844}}, adds the Publication Abstract to the page~~	+
-	~~(as it appears on PubMed at~~ http://www.~~pubmed~~.~~gov), where 19640844 is~~ the ~~PubMed ID number~~.	+
-	~~-->~~	+
-	~~{{ABSTRACT_PUBMED_19640844}}~~	+

	==About this Structure==		==About this Structure==
Line 22:		Line 10:

	==Reference==		==Reference==
-	<ref group="xtra">PMID:019640844</ref><references group="xtra"/>	+	<ref group="xtra">PMID:019640844</ref><references group="xtra"/><references/>
	[[Category: Dihydroorotate oxidase]]		[[Category: Dihydroorotate oxidase]]
	[[Category: Plasmodium falciparum 3d7]]		[[Category: Plasmodium falciparum 3d7]]

OCA: Protected "3i6r" [edit=sysop:move=sysop]

OCA — Thu, 26 May 2011 11:30:19 GMT

Protected "3i6r" [edit=sysop:move=sysop]

←Older revision

Revision as of 11:30, 26 May 2011

OCA at 11:30, 26 May 2011

OCA — Thu, 26 May 2011 11:30:16 GMT

←Older revision		Revision as of 11:30, 26 May 2011
Line 1:		Line 1:
-	{{Seed}}
	[[Image:3i6r.png\|left\|200px]]		[[Image:3i6r.png\|left\|200px]]

Line 20:		Line 19:

	==About this Structure==		==About this Structure==
-	~~3I6R~~ is a 1 chain structure of sequence from [http://en.wikipedia.org/wiki/Plasmodium_falciparum_3d7 Plasmodium falciparum 3d7]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3I6R OCA].	+	[[3i6r]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Plasmodium_falciparum_3d7 Plasmodium falciparum 3d7]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3I6R OCA].

	==Reference==		==Reference==
-	<ref group="xtra">PMID:~~19640844~~</ref><references group="xtra"/>	+	<ref group="xtra">PMID:019640844</ref><references group="xtra"/>
	[[Category: Dihydroorotate oxidase]]		[[Category: Dihydroorotate oxidase]]
	[[Category: Plasmodium falciparum 3d7]]		[[Category: Plasmodium falciparum 3d7]]
Line 41:		Line 40:
	[[Category: Transit peptide]]		[[Category: Transit peptide]]
	[[Category: Triazolopyrimidine]]		[[Category: Triazolopyrimidine]]
-
-	''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Wed Oct 21 09:42:06 2009''

OCA at 07:42, 21 October 2009

OCA — Wed, 21 Oct 2009 07:42:06 GMT

←Older revision		Revision as of 07:42, 21 October 2009
Line 1:		Line 1:
-	~~'''Unreleased structure'''~~	+	{{Seed}}
		+	[[Image:3i6r.png\|left\|200px]]

-	The ~~entry 3i6r~~ is ~~ON HOLD~~	+	<!--
		+	The line below this paragraph, containing "STRUCTURE_3i6r", creates the "Structure Box" on the page.
		+	You may change the PDB parameter (which sets the PDB file loaded into the applet)
		+	or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
		+	or leave the SCENE parameter empty for the default display.
		+	-->
		+	{{STRUCTURE_3i6r\| PDB=3i6r \| SCENE= }}

-	~~Authors: Deng, Xiaoyi~~	+	===Plasmodium falciparum dihydroorotate dehydrogenase bound with triazolopyrimidine-based inhibitor DSM74===

-	Description: Plasmodium falciparum dihydroorotate dehydrogenase bound with triazolopyrimidine-based inhibitor DSM74

-	''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Wed ~~Jul 15 08~~:30:30 2009''	+	<!--
		+	The line below this paragraph, {{ABSTRACT_PUBMED_19640844}}, adds the Publication Abstract to the page
		+	(as it appears on PubMed at http://www.pubmed.gov), where 19640844 is the PubMed ID number.
		+	-->
		+	{{ABSTRACT_PUBMED_19640844}}
		+
		+	==About this Structure==
		+	3I6R is a 1 chain structure of sequence from [http://en.wikipedia.org/wiki/Plasmodium_falciparum_3d7 Plasmodium falciparum 3d7]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3I6R OCA].
		+
		+	==Reference==
		+	<ref group="xtra">PMID:19640844</ref><references group="xtra"/>
		+	[[Category: Dihydroorotate oxidase]]
		+	[[Category: Plasmodium falciparum 3d7]]
		+	[[Category: Deng, X.]]
		+	[[Category: Phillips,M A.]]
		+	[[Category: Dihydroorotate dehydrogenase]]
		+	[[Category: Dsm74]]
		+	[[Category: Fad]]
		+	[[Category: Flavoprotein]]
		+	[[Category: Inhibitor]]
		+	[[Category: Membrane]]
		+	[[Category: Mitochondrion]]
		+	[[Category: Mitochondrion inner membrane]]
		+	[[Category: Oxidoreductase]]
		+	[[Category: Plasmodium falciparum]]
		+	[[Category: Pyrimidine biosynthesis]]
		+	[[Category: Transit peptide]]
		+	[[Category: Triazolopyrimidine]]
		+
		+	''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Wed Oct 21 09:42:06 2009''