3dg8 - Revision history

OCA at 12:46, 30 August 2023

OCA — Wed, 30 Aug 2023 12:46:35 GMT

←Older revision		Revision as of 12:46, 30 August 2023
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	<StructureSection load='3dg8' size='340' side='right'caption='[[3dg8]], [[Resolution\|resolution]] 2.58Å' scene=''>		<StructureSection load='3dg8' size='340' side='right'caption='[[3dg8]], [[Resolution\|resolution]] 2.58Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[3dg8]] is a 4 chain structure with sequence from [https://en.wikipedia.org/wiki/~~Plafa Plafa~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3DG8 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3DG8 FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[3dg8]] is a 4 chain structure with sequence from [https://en.wikipedia.org/wiki/Plasmodium_falciparum Plasmodium falciparum]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3DG8 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3DG8 FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=NDP:NADPH+DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE+PHOSPHATE'>NDP</scene>, <scene name='pdbligand=RJ6:N-(3,5-DIMETHOXYPHENYL)IMIDODICARBONIMIDIC+DIAMIDE'>RJ6</scene>, <scene name='pdbligand=UMP:2-DEOXYURIDINE+5-MONOPHOSPHATE'>UMP</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]] 2.58Å</td></tr>
-	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat"><div style='overflow: auto; max-height: 3em;'>[[1j3i\|1j3i]], [[1j3j\|1j3j]], [[1j3k\|1j3k]], [[3dga\|3dga]]</div></td></tr>	+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=NDP:NADPH+DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE+PHOSPHATE'>NDP</scene>, <scene name='pdbligand=RJ6:N-(3,5-DIMETHOXYPHENYL)IMIDODICARBONIMIDIC+DIAMIDE'>RJ6</scene>, <scene name='pdbligand=UMP:2-DEOXYURIDINE+5-MONOPHOSPHATE'>UMP</scene></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=3dg8 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3dg8 OCA], [https://pdbe.org/3dg8 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3dg8 RCSB], [https://www.ebi.ac.uk/pdbsum/3dg8 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3dg8 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=3dg8 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3dg8 OCA], [https://pdbe.org/3dg8 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3dg8 RCSB], [https://www.ebi.ac.uk/pdbsum/3dg8 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3dg8 ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
-	[[https://www.uniprot.org/uniprot/~~Q8I1R6_PLAF7 Q8I1R6_PLAF7]~~] Bifunctional enzyme. Involved in de novo dTMP biosynthesis. Key enzyme in folate metabolism ~~(By similarity)~~.[~~PIRNR~~:~~PIRNR000389~~]	+	[https://www.uniprot.org/uniprot/DRTS_PLAFK DRTS_PLAFK] Bifunctional enzyme. Involved in de novo dTMP biosynthesis. Key enzyme in folate metabolism. Catalyzes an essential reaction for de novo glycine and purine synthesis, DNA precursor synthesis, and for the conversion of dUMP to dTMP.[HAMAP-Rule:MF_00008]
	== Evolutionary Conservation ==		== Evolutionary Conservation ==
	[[Image:Consurf_key_small.gif\|200px\|right]]		[[Image:Consurf_key_small.gif\|200px\|right]]
Line 37:		Line 37:
	</StructureSection>		</StructureSection>
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: ~~Plafa~~]]	+	[[Category: Plasmodium falciparum]]
-	[[Category: Anderson~~, K S~~]]	+	[[Category: Anderson KS]]
-	[[Category: Chitnumsub, P]]	+	[[Category: Chitnumsub P]]
-	[[Category: Dasgupta, T]]	+	[[Category: Dasgupta T]]
-	[[Category: Jorgensen~~, W L~~]]	+	[[Category: Jorgensen WL]]
-	[[Category: Kamchonwongpaisan, S]]	+	[[Category: Kamchonwongpaisan S]]
-	[[Category: Lyons~~, T M~~]]	+	[[Category: Lyons TM]]
-	[[Category: Maneeruttanarungroj, C]]	+	[[Category: Maneeruttanarungroj C]]
-	[[Category: Nichols, S]]	+	[[Category: Nichols S]]
-	[[Category: Tirado-Rives, J]]	+	[[Category: Tirado-Rives J]]
-	[[Category: Yuthavong, Y]]	+	[[Category: Yuthavong Y]]
-	~~[[Category: Alpha-beta]]~~	+
-	~~[[Category: Methyltransferase]]~~	+
-	~~[[Category: Oxidoreductase]]~~	+
-	~~[[Category: Transferase~~]]	+

OCA at 19:23, 20 October 2021

OCA — Wed, 20 Oct 2021 19:23:20 GMT

←Older revision		Revision as of 19:23, 20 October 2021
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	<StructureSection load='3dg8' size='340' side='right'caption='[[3dg8]], [[Resolution\|resolution]] 2.58Å' scene=''>		<StructureSection load='3dg8' size='340' side='right'caption='[[3dg8]], [[Resolution\|resolution]] 2.58Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[3dg8]] is a 4 chain structure with sequence from [~~http~~://en.wikipedia.org/wiki/Plafa Plafa]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3DG8 OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=3DG8 FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[3dg8]] is a 4 chain structure with sequence from [https://en.wikipedia.org/wiki/Plafa Plafa]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3DG8 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3DG8 FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=NDP:NADPH+DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE+PHOSPHATE'>NDP</scene>, <scene name='pdbligand=RJ6:N-(3,5-DIMETHOXYPHENYL)IMIDODICARBONIMIDIC+DIAMIDE'>RJ6</scene>, <scene name='pdbligand=UMP:2-DEOXYURIDINE+5-MONOPHOSPHATE'>UMP</scene></td></tr>	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=NDP:NADPH+DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE+PHOSPHATE'>NDP</scene>, <scene name='pdbligand=RJ6:N-(3,5-DIMETHOXYPHENYL)IMIDODICARBONIMIDIC+DIAMIDE'>RJ6</scene>, <scene name='pdbligand=UMP:2-DEOXYURIDINE+5-MONOPHOSPHATE'>UMP</scene></td></tr>
-	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1j3i\|1j3i]], [[1j3j\|1j3j]], [[1j3k\|1j3k]], [[3dga\|3dga]]</td></tr>	+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat"><div style='overflow: auto; max-height: 3em;'>[[1j3i\|1j3i]], [[1j3j\|1j3j]], [[1j3k\|1j3k]], [[3dga\|3dga]]</div></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=3dg8 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3dg8 OCA], [~~http~~://pdbe.org/3dg8 PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=3dg8 RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/3dg8 PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=3dg8 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=3dg8 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3dg8 OCA], [https://pdbe.org/3dg8 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3dg8 RCSB], [https://www.ebi.ac.uk/pdbsum/3dg8 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3dg8 ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
-	[[~~http~~://www.uniprot.org/uniprot/Q8I1R6_PLAF7 Q8I1R6_PLAF7]] Bifunctional enzyme. Involved in de novo dTMP biosynthesis. Key enzyme in folate metabolism (By similarity).[PIRNR:PIRNR000389]	+	[[https://www.uniprot.org/uniprot/Q8I1R6_PLAF7 Q8I1R6_PLAF7]] Bifunctional enzyme. Involved in de novo dTMP biosynthesis. Key enzyme in folate metabolism (By similarity).[PIRNR:PIRNR000389]
	== Evolutionary Conservation ==		== Evolutionary Conservation ==
	[[Image:Consurf_key_small.gif\|200px\|right]]		[[Image:Consurf_key_small.gif\|200px\|right]]

OCA at 07:20, 31 July 2019

OCA — Wed, 31 Jul 2019 07:20:08 GMT

←Older revision		Revision as of 07:20, 31 July 2019
Line 1:		Line 1:

	==Quadruple mutant (N51I+C59R+S108N+I164L) Plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS) complexed with RJF670, NADPH, and dUMP==		==Quadruple mutant (N51I+C59R+S108N+I164L) Plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS) complexed with RJF670, NADPH, and dUMP==
-	<StructureSection load='3dg8' size='340' side='right' caption='[[3dg8]], [[Resolution\|resolution]] 2.58Å' scene=''>	+	<StructureSection load='3dg8' size='340' side='right'caption='[[3dg8]], [[Resolution\|resolution]] 2.58Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[3dg8]] is a 4 chain structure with sequence from [http://en.wikipedia.org/wiki/Plafa Plafa]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3DG8 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3DG8 FirstGlance]. <br>		<table><tr><td colspan='2'>[[3dg8]] is a 4 chain structure with sequence from [http://en.wikipedia.org/wiki/Plafa Plafa]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3DG8 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3DG8 FirstGlance]. <br>
Line 14:		Line 14:
	Check<jmol>		Check<jmol>
	<jmolCheckbox>		<jmolCheckbox>
-	<scriptWhenChecked>select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/dg/3dg8_consurf.spt"</scriptWhenChecked>	+	<scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/dg/3dg8_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 29:		Line 29:
	</div>		</div>
	<div class="pdbe-citations 3dg8" style="background-color:#fffaf0;"></div>		<div class="pdbe-citations 3dg8" style="background-color:#fffaf0;"></div>
		+
		+	==See Also==
		+	*[[Dihydrofolate reductase 3D structures\|Dihydrofolate reductase 3D structures]]
	== References ==		== References ==
	<references/>		<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: Large Structures]]
	[[Category: Plafa]]		[[Category: Plafa]]
	[[Category: Anderson, K S]]		[[Category: Anderson, K S]]

OCA at 08:48, 25 October 2017

OCA — Wed, 25 Oct 2017 08:48:55 GMT

←Older revision		Revision as of 08:48, 25 October 2017
Line 1:		Line 1:
		+
	==Quadruple mutant (N51I+C59R+S108N+I164L) Plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS) complexed with RJF670, NADPH, and dUMP==		==Quadruple mutant (N51I+C59R+S108N+I164L) Plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS) complexed with RJF670, NADPH, and dUMP==
	<StructureSection load='3dg8' size='340' side='right' caption='[[3dg8]], [[Resolution\|resolution]] 2.58Å' scene=''>		<StructureSection load='3dg8' size='340' side='right' caption='[[3dg8]], [[Resolution\|resolution]] 2.58Å' scene=''>
Line 5:		Line 6:
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=NDP:NADPH+DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE+PHOSPHATE'>NDP</scene>, <scene name='pdbligand=RJ6:N-(3,5-DIMETHOXYPHENYL)IMIDODICARBONIMIDIC+DIAMIDE'>RJ6</scene>, <scene name='pdbligand=UMP:2-DEOXYURIDINE+5-MONOPHOSPHATE'>UMP</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=NDP:NADPH+DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE+PHOSPHATE'>NDP</scene>, <scene name='pdbligand=RJ6:N-(3,5-DIMETHOXYPHENYL)IMIDODICARBONIMIDIC+DIAMIDE'>RJ6</scene>, <scene name='pdbligand=UMP:2-DEOXYURIDINE+5-MONOPHOSPHATE'>UMP</scene></td></tr>
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1j3i\|1j3i]], [[1j3j\|1j3j]], [[1j3k\|1j3k]], [[3dga\|3dga]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1j3i\|1j3i]], [[1j3j\|1j3j]], [[1j3k\|1j3k]], [[3dga\|3dga]]</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=3dg8 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3dg8 OCA], [http://pdbe.org/3dg8 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=3dg8 RCSB], [http://www.ebi.ac.uk/pdbsum/3dg8 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=3dg8 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3dg8 OCA], [http://pdbe.org/3dg8 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=3dg8 RCSB], [http://www.ebi.ac.uk/pdbsum/3dg8 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=3dg8 ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
Line 28:		Line 29:
	</div>		</div>
	<div class="pdbe-citations 3dg8" style="background-color:#fffaf0;"></div>		<div class="pdbe-citations 3dg8" style="background-color:#fffaf0;"></div>
-
-	==See Also==
-	*[[Dihydrofolate reductase\|Dihydrofolate reductase]]
	== References ==		== References ==
	<references/>		<references/>

OCA at 10:48, 8 February 2016

OCA — Mon, 08 Feb 2016 10:48:35 GMT

←Older revision		Revision as of 10:48, 8 February 2016
Line 2:		Line 2:
	<StructureSection load='3dg8' size='340' side='right' caption='[[3dg8]], [[Resolution\|resolution]] 2.58Å' scene=''>		<StructureSection load='3dg8' size='340' side='right' caption='[[3dg8]], [[Resolution\|resolution]] 2.58Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[3dg8]] is a 4 chain structure with sequence from [http://en.wikipedia.org/wiki/~~Plasmodium_falciparum Plasmodium falciparum~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3DG8 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3DG8 FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[3dg8]] is a 4 chain structure with sequence from [http://en.wikipedia.org/wiki/Plafa Plafa]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3DG8 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3DG8 FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=NDP:NADPH+DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE+PHOSPHATE'>NDP</scene>, <scene name='pdbligand=RJ6:N-(3,5-DIMETHOXYPHENYL)IMIDODICARBONIMIDIC+DIAMIDE'>RJ6</scene>, <scene name='pdbligand=UMP:2-DEOXYURIDINE+5-MONOPHOSPHATE'>UMP</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=NDP:NADPH+DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE+PHOSPHATE'>NDP</scene>, <scene name='pdbligand=RJ6:N-(3,5-DIMETHOXYPHENYL)IMIDODICARBONIMIDIC+DIAMIDE'>RJ6</scene>, <scene name='pdbligand=UMP:2-DEOXYURIDINE+5-MONOPHOSPHATE'>UMP</scene></td></tr>
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1j3i\|1j3i]], [[1j3j\|1j3j]], [[1j3k\|1j3k]], [[3dga\|3dga]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1j3i\|1j3i]], [[1j3j\|1j3j]], [[1j3k\|1j3k]], [[3dga\|3dga]]</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=3dg8 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3dg8 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3dg8 RCSB], [http://www.ebi.ac.uk/pdbsum/3dg8 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=3dg8 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3dg8 OCA], [http://pdbe.org/3dg8 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=3dg8 RCSB], [http://www.ebi.ac.uk/pdbsum/3dg8 PDBsum]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
Line 17:		Line 17:
	<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=3dg8 ConSurf].
	<div style="clear:both"></div>		<div style="clear:both"></div>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
Line 27:		Line 27:
	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 3dg8" style="background-color:#fffaf0;"></div>

	==See Also==		==See Also==
Line 34:		Line 35:
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: ~~Plasmodium falciparum~~]]	+	[[Category: Plafa]]
	[[Category: Anderson, K S]]		[[Category: Anderson, K S]]
	[[Category: Chitnumsub, P]]		[[Category: Chitnumsub, P]]

OCA at 22:47, 24 December 2014

OCA — Wed, 24 Dec 2014 22:47:46 GMT

←Older revision		Revision as of 22:47, 24 December 2014
Line 3:		Line 3:
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[3dg8]] is a 4 chain structure with sequence from [http://en.wikipedia.org/wiki/Plasmodium_falciparum Plasmodium falciparum]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3DG8 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3DG8 FirstGlance]. <br>		<table><tr><td colspan='2'>[[3dg8]] is a 4 chain structure with sequence from [http://en.wikipedia.org/wiki/Plasmodium_falciparum Plasmodium falciparum]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3DG8 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3DG8 FirstGlance]. <br>
-	</td></tr><tr><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=NDP:NADPH+DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE+PHOSPHATE'>NDP</scene>, <scene name='pdbligand=RJ6:N-(3,5-DIMETHOXYPHENYL)IMIDODICARBONIMIDIC+DIAMIDE'>RJ6</scene>, <scene name='pdbligand=UMP:2-DEOXYURIDINE+5-MONOPHOSPHATE'>UMP</scene><br>	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=NDP:NADPH+DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE+PHOSPHATE'>NDP</scene>, <scene name='pdbligand=RJ6:N-(3,5-DIMETHOXYPHENYL)IMIDODICARBONIMIDIC+DIAMIDE'>RJ6</scene>, <scene name='pdbligand=UMP:2-DEOXYURIDINE+5-MONOPHOSPHATE'>UMP</scene></td></tr>
-	<tr><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1j3i\|1j3i]], [[1j3j\|1j3j]], [[1j3k\|1j3k]], [[3dga\|3dga]]</td></tr>	+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1j3i\|1j3i]], [[1j3j\|1j3j]], [[1j3k\|1j3k]], [[3dga\|3dga]]</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=3dg8 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3dg8 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3dg8 RCSB], [http://www.ebi.ac.uk/pdbsum/3dg8 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=3dg8 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3dg8 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3dg8 RCSB], [http://www.ebi.ac.uk/pdbsum/3dg8 PDBsum]</span></td></tr>
-	<table>	+	</table>
		+	== Function ==
		+	[[http://www.uniprot.org/uniprot/Q8I1R6_PLAF7 Q8I1R6_PLAF7]] Bifunctional enzyme. Involved in de novo dTMP biosynthesis. Key enzyme in folate metabolism (By similarity).[PIRNR:PIRNR000389]
	== Evolutionary Conservation ==		== Evolutionary Conservation ==
	[[Image:Consurf_key_small.gif\|200px\|right]]		[[Image:Consurf_key_small.gif\|200px\|right]]
Line 33:		Line 35:
	</StructureSection>		</StructureSection>
	[[Category: Plasmodium falciparum]]		[[Category: Plasmodium falciparum]]
-	[[Category: Anderson, K S.]]	+	[[Category: Anderson, K S]]
-	[[Category: Chitnumsub, P.]]	+	[[Category: Chitnumsub, P]]
-	[[Category: Dasgupta, T.]]	+	[[Category: Dasgupta, T]]
-	[[Category: Jorgensen, W L.]]	+	[[Category: Jorgensen, W L]]
-	[[Category: Kamchonwongpaisan, S.]]	+	[[Category: Kamchonwongpaisan, S]]
-	[[Category: Lyons, T M.]]	+	[[Category: Lyons, T M]]
-	[[Category: Maneeruttanarungroj, C.]]	+	[[Category: Maneeruttanarungroj, C]]
-	[[Category: Nichols, S.]]	+	[[Category: Nichols, S]]
-	[[Category: Tirado-Rives, J.]]	+	[[Category: Tirado-Rives, J]]
-	[[Category: Yuthavong, Y.]]	+	[[Category: Yuthavong, Y]]
	[[Category: Alpha-beta]]		[[Category: Alpha-beta]]
	[[Category: Methyltransferase]]		[[Category: Methyltransferase]]
	[[Category: Oxidoreductase]]		[[Category: Oxidoreductase]]
	[[Category: Transferase]]		[[Category: Transferase]]

OCA at 12:48, 29 September 2014

OCA — Mon, 29 Sep 2014 12:48:58 GMT

←Older revision		Revision as of 12:48, 29 September 2014
Line 1:		Line 1:
-	[[~~Image:~~3dg8.~~png~~\|~~left~~\|200px]]	+	==Quadruple mutant (N51I+C59R+S108N+I164L) Plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS) complexed with RJF670, NADPH, and dUMP==
		+	<StructureSection load='3dg8' size='340' side='right' caption='[[3dg8]], [[Resolution\|resolution]] 2.58Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[3dg8]] is a 4 chain structure with sequence from [http://en.wikipedia.org/wiki/Plasmodium_falciparum Plasmodium falciparum]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3DG8 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3DG8 FirstGlance]. <br>
		+	</td></tr><tr><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=NDP:NADPH+DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE+PHOSPHATE'>NDP</scene>, <scene name='pdbligand=RJ6:N-(3,5-DIMETHOXYPHENYL)IMIDODICARBONIMIDIC+DIAMIDE'>RJ6</scene>, <scene name='pdbligand=UMP:2-DEOXYURIDINE+5-MONOPHOSPHATE'>UMP</scene><br>
		+	<tr><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1j3i\|1j3i]], [[1j3j\|1j3j]], [[1j3k\|1j3k]], [[3dga\|3dga]]</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=3dg8 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3dg8 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3dg8 RCSB], [http://www.ebi.ac.uk/pdbsum/3dg8 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/dg/3dg8_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 ==
		+	Plasmodium falciparum thymidylate synthase-dihydrofolate reductase (TS-DHFR) is an essential enzyme in folate biosynthesis and a major malarial drug target. This bifunctional enzyme thus presents different design approaches for developing novel inhibitors against drug-resistant mutants. We performed a high-throughput in silico screen of a database of diverse, drug-like molecules against a non-active-site pocket of TS-DHFR. The top compounds from this virtual screen were evaluated by in vitro enzymatic and cellular culture studies. Three compounds active to 20 microM IC(50)'s in both wildtype and antifolate-resistant P. falciparum parasites were identified; moreover, no inhibition of human DHFR enzyme was observed, indicating that the inhibitory effects appeared to be parasite-specific. Notably, all three compounds had a biguanide scaffold. However, relative free energy of binding calculations suggested that the compounds might preferentially interact with the active site over the screened non-active-site region. To resolve the two possible modes of binding, co-crystallization studies of the compounds complexed with TS-DHFR enzyme were performed. Surprisingly, the structural analysis revealed that these novel, biguanide compounds do indeed bind at the active site of DHFR and additionally revealed the molecular basis by which they overcome drug resistance. To our knowledge, these are the first co-crystal structures of novel, biguanide, non-WR99210 compounds that are active against folate-resistant malaria parasites in cell culture.

-	~~{{STRUCTURE_3dg8\| PDB=3dg8 \| SCENE= }}~~	+	Exploiting structural analysis, in silico screening, and serendipity to identify novel inhibitors of drug-resistant falciparum malaria.,Dasgupta T, Chitnumsub P, Kamchonwongpaisan S, Maneeruttanarungroj C, Nichols SE, Lyons TM, Tirado-Rives J, Jorgensen WL, Yuthavong Y, Anderson KS ACS Chem Biol. 2009 Jan 16;4(1):29-40. PMID:19146480<ref>PMID:19146480</ref>

-	~~===Quadruple mutant (N51I+C59R+S108N+I164L) Plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS) complexed with RJF670~~, ~~NADPH, and dUMP===~~	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-		+	</div>
-	~~{{ABSTRACT_PUBMED_19146480}}~~	+
-		+
-	~~==About this Structure==~~	+
-	~~[[3dg8]] is~~ a ~~4 chain structure with sequence from [http://en~~.~~wikipedia~~.~~org/wiki/Plasmodium_falciparum Plasmodium falciparum]~~. ~~Full crystallographic information is available from [http:~~/~~/oca.weizmann.ac.il/oca-bin/ocashort?id=3DG8 OCA].~~	+

	==See Also==		==See Also==
	*[[Dihydrofolate reductase\|Dihydrofolate reductase]]		*[[Dihydrofolate reductase\|Dihydrofolate reductase]]
-	*[[Thymidylate synthase\|Thymidylate synthase]]	+	== References ==
-		+	<references/>
-	==~~Reference~~==	+	__TOC__
-	<~~ref group="xtra">PMID:019146480<~~/~~ref~~><~~references group="xtra"~~/>	+	</StructureSection>
	[[Category: Plasmodium falciparum]]		[[Category: Plasmodium falciparum]]
	[[Category: Anderson, K S.]]		[[Category: Anderson, K S.]]

OCA at 09:54, 20 October 2012

OCA — Sat, 20 Oct 2012 09:54:34 GMT

←Older revision		Revision as of 09:54, 20 October 2012
Line 8:		Line 8:

	==About this Structure==		==About this Structure==
-	[[3dg8]] is a 4 chain structure ~~of [[Dihydrofolate reductase]] and [[Thymidylate synthase]]~~ with sequence from [http://en.wikipedia.org/wiki/Plasmodium_falciparum Plasmodium falciparum]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3DG8 OCA].	+	[[3dg8]] is a 4 chain structure with sequence from [http://en.wikipedia.org/wiki/Plasmodium_falciparum Plasmodium falciparum]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3DG8 OCA].

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

OCA: Protected "3dg8" [edit=sysop:move=sysop]

OCA — Thu, 26 Jul 2012 00:20:42 GMT

Protected "3dg8" [edit=sysop:move=sysop]

←Older revision

Revision as of 00:20, 26 July 2012

OCA at 00:20, 26 July 2012

OCA — Thu, 26 Jul 2012 00:20:40 GMT

←Older revision		Revision as of 00:20, 26 July 2012
Line 1:		Line 1:
-	~~{{Seed}}~~	+	[[Image:3dg8.png\|left\|200px]]
-	[[Image:3dg8.~~jpg~~\|left\|200px]]	+

-	<!--
-	The line below this paragraph, containing "STRUCTURE_3dg8", 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_3dg8\| PDB=3dg8 \| SCENE= }}		{{STRUCTURE_3dg8\| PDB=3dg8 \| SCENE= }}

	===Quadruple mutant (N51I+C59R+S108N+I164L) Plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS) complexed with RJF670, NADPH, and dUMP===		===Quadruple mutant (N51I+C59R+S108N+I164L) Plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS) complexed with RJF670, NADPH, and dUMP===

-
-	<!--
-	The line below this paragraph, {{ABSTRACT_PUBMED_19146480}}, adds the Publication Abstract to the page
-	(as it appears on PubMed at http://www.pubmed.gov), where 19146480 is the PubMed ID number.
-	-->
	{{ABSTRACT_PUBMED_19146480}}		{{ABSTRACT_PUBMED_19146480}}

	==About this Structure==		==About this Structure==
-	~~3DG8~~ is a 4 ~~chains~~ structure of ~~sequences~~ from [http://en.wikipedia.org/wiki/Plasmodium_falciparum Plasmodium falciparum]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3DG8 OCA].	+	[[3dg8]] is a 4 chain structure of [[Dihydrofolate reductase]] and [[Thymidylate synthase]] with sequence from [http://en.wikipedia.org/wiki/Plasmodium_falciparum Plasmodium falciparum]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3DG8 OCA].
		+
		+	==See Also==
		+	*[[Dihydrofolate reductase\|Dihydrofolate reductase]]
		+	*[[Thymidylate synthase\|Thymidylate synthase]]

	==Reference==		==Reference==
-	<ref group="xtra">PMID:~~19146480~~</ref><references group="xtra"/>	+	<ref group="xtra">PMID:019146480</ref><references group="xtra"/>
	[[Category: Plasmodium falciparum]]		[[Category: Plasmodium falciparum]]
	[[Category: Anderson, K S.]]		[[Category: Anderson, K S.]]
Line 39:		Line 31:
	[[Category: Oxidoreductase]]		[[Category: Oxidoreductase]]
	[[Category: Transferase]]		[[Category: Transferase]]
-
-	''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Wed Jan 28 09:48:23 2009''