3nxx - Revision history

OCA at 09:24, 6 September 2023

OCA — Wed, 06 Sep 2023 09:24:02 GMT

←Older revision		Revision as of 09:24, 6 September 2023
Line 3:		Line 3:
	<StructureSection load='3nxx' size='340' side='right'caption='[[3nxx]], [[Resolution\|resolution]] 1.35Å' scene=''>		<StructureSection load='3nxx' size='340' side='right'caption='[[3nxx]], [[Resolution\|resolution]] 1.35Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[3nxx]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/~~Human Human~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3NXX OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3NXX FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[3nxx]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3NXX OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3NXX FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=D2D:5-[(1E)-2-(2-METHOXYPHENYL)-4-METHYLPENT-1-EN-1-YL]FURO[2,3-D]PYRIMIDINE-2,4-DIAMINE'>D2D</scene>, <scene name='pdbligand=NDP:NADPH+DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE+PHOSPHATE'>NDP</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]] 1.35Å</td></tr>
-	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat"><div style='overflow: auto; max-height: 3em;'>[[3nxo\|3nxo]], [[3nxr\|3nxr]], [[3nxt\|3nxt]], [[3nxv\|3nxv]], [[3nxy\|3nxy]], [[3nz6\|3nz6]], [[3nz9\|3nz9]], [[3nza\|3nza]], [[3nzb\|3nzb]], [[3nzc\|3nzc]], [[3nzd\|3nzd]], [[3gyf\|3gyf]], [[3d7y\|3d7y]], [[3d7x\|3d7x]]</div></td></tr>	+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=D2D:5-[(1E)-2-(2-METHOXYPHENYL)-4-METHYLPENT-1-EN-1-YL]FURO[2,3-D]PYRIMIDINE-2,4-DIAMINE'>D2D</scene>, <scene name='pdbligand=NDP:NADPH+DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE+PHOSPHATE'>NDP</scene></td></tr>
-	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">DHFR, DHFRP1 ([https://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 HUMAN])</td></tr>	+
-	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[https://en.wikipedia.org/wiki/Dihydrofolate_reductase Dihydrofolate reductase], with EC number [https://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.5.1.3 1.5.1.3] </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=3nxx FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3nxx OCA], [https://pdbe.org/3nxx PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3nxx RCSB], [https://www.ebi.ac.uk/pdbsum/3nxx PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3nxx 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=3nxx FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3nxx OCA], [https://pdbe.org/3nxx PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3nxx RCSB], [https://www.ebi.ac.uk/pdbsum/3nxx PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3nxx ProSAT]</span></td></tr>
	</table>		</table>
	== Disease ==		== Disease ==
-	[[https://www.uniprot.org/uniprot/DYR_HUMAN DYR_HUMAN]] Defects in DHFR are the cause of megaloblastic anemia due to dihydrofolate reductase deficiency (DHFRD) [MIM:[https://omim.org/entry/613839 613839]]. DHFRD is an inborn error of metabolism, characterized by megaloblastic anemia and/or pancytopenia, severe cerebral folate deficiency, and cerebral tetrahydrobiopterin deficiency. Clinical features include variable neurologic symptoms, ranging from severe developmental delay and generalized seizures in infancy, to childhood absence epilepsy with learning difficulties, to lack of symptoms.<ref>PMID:21310276</ref> <ref>PMID:21310277</ref>	+	[https://www.uniprot.org/uniprot/DYR_HUMAN DYR_HUMAN] Defects in DHFR are the cause of megaloblastic anemia due to dihydrofolate reductase deficiency (DHFRD) [MIM:[https://omim.org/entry/613839 613839]. DHFRD is an inborn error of metabolism, characterized by megaloblastic anemia and/or pancytopenia, severe cerebral folate deficiency, and cerebral tetrahydrobiopterin deficiency. Clinical features include variable neurologic symptoms, ranging from severe developmental delay and generalized seizures in infancy, to childhood absence epilepsy with learning difficulties, to lack of symptoms.<ref>PMID:21310276</ref> <ref>PMID:21310277</ref>
	== Function ==		== Function ==
-	[[https://www.uniprot.org/uniprot/DYR_HUMAN DYR_HUMAN]] Key enzyme in folate metabolism. Contributes to the de novo mitochondrial thymidylate biosynthesis pathway. Catalyzes an essential reaction for de novo glycine and purine synthesis, and for DNA precursor synthesis. Binds its own mRNA and that of DHFRL1.<ref>PMID:21876188</ref> <ref>PMID:12096917</ref>	+	[https://www.uniprot.org/uniprot/DYR_HUMAN DYR_HUMAN] Key enzyme in folate metabolism. Contributes to the de novo mitochondrial thymidylate biosynthesis pathway. Catalyzes an essential reaction for de novo glycine and purine synthesis, and for DNA precursor synthesis. Binds its own mRNA and that of DHFRL1.<ref>PMID:21876188</ref> <ref>PMID:12096917</ref>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
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	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: ~~Dihydrofolate reductase]]~~	+	[[Category: Homo sapiens]]
-	~~[[Category: Human~~]]	+
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: Cody, V]]	+	[[Category: Cody V]]
-	~~[[Category: Chiral mixtures preferential selection]]~~	+
-	~~[[Category: Oxidoreductase~~]]	+

OCA at 07:11, 12 May 2022

OCA — Thu, 12 May 2022 07:11:46 GMT

←Older revision		Revision as of 07:11, 12 May 2022
Line 1:		Line 1:

	==Preferential Selection of Isomer Binding from Chiral Mixtures: Alternate Binding Modes Observed for the E- and Z-isomers of a Series of 5-Substituted 2,4-Diaminofuro-2,3-d]pyrimidines as Ternary Complexes with NADPH and Human Dihydrofolate Reductase==		==Preferential Selection of Isomer Binding from Chiral Mixtures: Alternate Binding Modes Observed for the E- and Z-isomers of a Series of 5-Substituted 2,4-Diaminofuro-2,3-d]pyrimidines as Ternary Complexes with NADPH and Human Dihydrofolate Reductase==
-	<StructureSection load='3nxx' size='340' side='right' caption='[[3nxx]], [[Resolution\|resolution]] 1.35Å' scene=''>	+	<StructureSection load='3nxx' size='340' side='right'caption='[[3nxx]], [[Resolution\|resolution]] 1.35Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[3nxx]] is a 1 chain structure with sequence from [~~http~~://en.wikipedia.org/wiki/Human Human]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3NXX OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=3NXX FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[3nxx]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Human Human]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3NXX OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3NXX FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=D2D:5-[(1E)-2-(2-METHOXYPHENYL)-4-METHYLPENT-1-EN-1-YL]FURO[2,3-D]PYRIMIDINE-2,4-DIAMINE'>D2D</scene>, <scene name='pdbligand=NDP:NADPH+DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE+PHOSPHATE'>NDP</scene></td></tr>	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=D2D:5-[(1E)-2-(2-METHOXYPHENYL)-4-METHYLPENT-1-EN-1-YL]FURO[2,3-D]PYRIMIDINE-2,4-DIAMINE'>D2D</scene>, <scene name='pdbligand=NDP:NADPH+DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE+PHOSPHATE'>NDP</scene></td></tr>
-	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[3nxo\|3nxo]], [[3nxr\|3nxr]], [[3nxt\|3nxt]], [[3nxv\|3nxv]], [[3nxy\|3nxy]], [[3nz6\|3nz6]], [[3nz9\|3nz9]], [[3nza\|3nza]], [[3nzb\|3nzb]], [[3nzc\|3nzc]], [[3nzd\|3nzd]], [[3gyf\|3gyf]], [[3d7y\|3d7y]], [[3d7x\|3d7x]]</td></tr>	+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat"><div style='overflow: auto; max-height: 3em;'>[[3nxo\|3nxo]], [[3nxr\|3nxr]], [[3nxt\|3nxt]], [[3nxv\|3nxv]], [[3nxy\|3nxy]], [[3nz6\|3nz6]], [[3nz9\|3nz9]], [[3nza\|3nza]], [[3nzb\|3nzb]], [[3nzc\|3nzc]], [[3nzd\|3nzd]], [[3gyf\|3gyf]], [[3d7y\|3d7y]], [[3d7x\|3d7x]]</div></td></tr>
-	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">DHFR, DHFRP1 ([~~http~~://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 HUMAN])</td></tr>	+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">DHFR, DHFRP1 ([https://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 HUMAN])</td></tr>
-	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[~~http~~://en.wikipedia.org/wiki/Dihydrofolate_reductase Dihydrofolate reductase], with EC number [~~http~~://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.5.1.3 1.5.1.3] </span></td></tr>	+	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[https://en.wikipedia.org/wiki/Dihydrofolate_reductase Dihydrofolate reductase], with EC number [https://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.5.1.3 1.5.1.3] </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=3nxx FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3nxx OCA], [~~http~~://pdbe.org/3nxx PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=3nxx RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/3nxx PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=3nxx 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=3nxx FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3nxx OCA], [https://pdbe.org/3nxx PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3nxx RCSB], [https://www.ebi.ac.uk/pdbsum/3nxx PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3nxx ProSAT]</span></td></tr>
	</table>		</table>
	== Disease ==		== Disease ==
-	[[~~http~~://www.uniprot.org/uniprot/DYR_HUMAN DYR_HUMAN]] Defects in DHFR are the cause of megaloblastic anemia due to dihydrofolate reductase deficiency (DHFRD) [MIM:[~~http~~://omim.org/entry/613839 613839]]. DHFRD is an inborn error of metabolism, characterized by megaloblastic anemia and/or pancytopenia, severe cerebral folate deficiency, and cerebral tetrahydrobiopterin deficiency. Clinical features include variable neurologic symptoms, ranging from severe developmental delay and generalized seizures in infancy, to childhood absence epilepsy with learning difficulties, to lack of symptoms.<ref>PMID:21310276</ref> <ref>PMID:21310277</ref>	+	[[https://www.uniprot.org/uniprot/DYR_HUMAN DYR_HUMAN]] Defects in DHFR are the cause of megaloblastic anemia due to dihydrofolate reductase deficiency (DHFRD) [MIM:[https://omim.org/entry/613839 613839]]. DHFRD is an inborn error of metabolism, characterized by megaloblastic anemia and/or pancytopenia, severe cerebral folate deficiency, and cerebral tetrahydrobiopterin deficiency. Clinical features include variable neurologic symptoms, ranging from severe developmental delay and generalized seizures in infancy, to childhood absence epilepsy with learning difficulties, to lack of symptoms.<ref>PMID:21310276</ref> <ref>PMID:21310277</ref>
	== Function ==		== Function ==
-	[[~~http~~://www.uniprot.org/uniprot/DYR_HUMAN DYR_HUMAN]] Key enzyme in folate metabolism. Contributes to the de novo mitochondrial thymidylate biosynthesis pathway. Catalyzes an essential reaction for de novo glycine and purine synthesis, and for DNA precursor synthesis. Binds its own mRNA and that of DHFRL1.<ref>PMID:21876188</ref> <ref>PMID:12096917</ref>	+	[[https://www.uniprot.org/uniprot/DYR_HUMAN DYR_HUMAN]] Key enzyme in folate metabolism. Contributes to the de novo mitochondrial thymidylate biosynthesis pathway. Catalyzes an essential reaction for de novo glycine and purine synthesis, and for DNA precursor synthesis. Binds its own mRNA and that of DHFRL1.<ref>PMID:21876188</ref> <ref>PMID:12096917</ref>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
Line 23:		Line 23:
	</div>		</div>
	<div class="pdbe-citations 3nxx" style="background-color:#fffaf0;"></div>		<div class="pdbe-citations 3nxx" style="background-color:#fffaf0;"></div>
		+
		+	==See Also==
		+	*[[Dihydrofolate reductase 3D structures\|Dihydrofolate reductase 3D structures]]
	== References ==		== References ==
	<references/>		<references/>
Line 29:		Line 32:
	[[Category: Dihydrofolate reductase]]		[[Category: Dihydrofolate reductase]]
	[[Category: Human]]		[[Category: Human]]
		+	[[Category: Large Structures]]
	[[Category: Cody, V]]		[[Category: Cody, V]]
	[[Category: Chiral mixtures preferential selection]]		[[Category: Chiral mixtures preferential selection]]
	[[Category: Oxidoreductase]]		[[Category: Oxidoreductase]]

OCA at 08:36, 8 November 2017

OCA — Wed, 08 Nov 2017 08:36:59 GMT

←Older revision		Revision as of 08:36, 8 November 2017
Line 23:		Line 23:
	</div>		</div>
	<div class="pdbe-citations 3nxx" style="background-color:#fffaf0;"></div>		<div class="pdbe-citations 3nxx" style="background-color:#fffaf0;"></div>
-
-	==See Also==
-	*[[Dihydrofolate reductase\|Dihydrofolate reductase]]
	== References ==		== References ==
	<references/>		<references/>

OCA at 23:20, 4 August 2016

OCA — Thu, 04 Aug 2016 23:20:30 GMT

←Older revision		Revision as of 23:20, 4 August 2016
Line 1:		Line 1:
		+
	==Preferential Selection of Isomer Binding from Chiral Mixtures: Alternate Binding Modes Observed for the E- and Z-isomers of a Series of 5-Substituted 2,4-Diaminofuro-2,3-d]pyrimidines as Ternary Complexes with NADPH and Human Dihydrofolate Reductase==		==Preferential Selection of Isomer Binding from Chiral Mixtures: Alternate Binding Modes Observed for the E- and Z-isomers of a Series of 5-Substituted 2,4-Diaminofuro-2,3-d]pyrimidines as Ternary Complexes with NADPH and Human Dihydrofolate Reductase==
	<StructureSection load='3nxx' size='340' side='right' caption='[[3nxx]], [[Resolution\|resolution]] 1.35Å' scene=''>		<StructureSection load='3nxx' size='340' side='right' caption='[[3nxx]], [[Resolution\|resolution]] 1.35Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[3nxx]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/~~Homo_sapiens Homo sapiens~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3NXX OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3NXX FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[3nxx]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Human Human]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3NXX OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3NXX FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=D2D:5-[(1E)-2-(2-METHOXYPHENYL)-4-METHYLPENT-1-EN-1-YL]FURO[2,3-D]PYRIMIDINE-2,4-DIAMINE'>D2D</scene>, <scene name='pdbligand=NDP:NADPH+DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE+PHOSPHATE'>NDP</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=D2D:5-[(1E)-2-(2-METHOXYPHENYL)-4-METHYLPENT-1-EN-1-YL]FURO[2,3-D]PYRIMIDINE-2,4-DIAMINE'>D2D</scene>, <scene name='pdbligand=NDP:NADPH+DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE+PHOSPHATE'>NDP</scene></td></tr>
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[3nxo\|3nxo]], [[3nxr\|3nxr]], [[3nxt\|3nxt]], [[3nxv\|3nxv]], [[3nxy\|3nxy]], [[3nz6\|3nz6]], [[3nz9\|3nz9]], [[3nza\|3nza]], [[3nzb\|3nzb]], [[3nzc\|3nzc]], [[3nzd\|3nzd]], [[3gyf\|3gyf]], [[3d7y\|3d7y]], [[3d7x\|3d7x]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[3nxo\|3nxo]], [[3nxr\|3nxr]], [[3nxt\|3nxt]], [[3nxv\|3nxv]], [[3nxy\|3nxy]], [[3nz6\|3nz6]], [[3nz9\|3nz9]], [[3nza\|3nza]], [[3nzb\|3nzb]], [[3nzc\|3nzc]], [[3nzd\|3nzd]], [[3gyf\|3gyf]], [[3d7y\|3d7y]], [[3d7x\|3d7x]]</td></tr>
-	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">DHFR, DHFRP1 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 ~~Homo sapiens~~])</td></tr>	+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">DHFR, DHFRP1 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 HUMAN])</td></tr>
	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Dihydrofolate_reductase Dihydrofolate reductase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.5.1.3 1.5.1.3] </span></td></tr>		<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Dihydrofolate_reductase Dihydrofolate reductase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.5.1.3 1.5.1.3] </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=3nxx FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3nxx OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3nxx RCSB], [http://www.ebi.ac.uk/pdbsum/3nxx 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=3nxx FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3nxx OCA], [http://pdbe.org/3nxx PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=3nxx RCSB], [http://www.ebi.ac.uk/pdbsum/3nxx PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=3nxx ProSAT]</span></td></tr>
	</table>		</table>
	== Disease ==		== Disease ==
Line 21:		Line 22:
	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 3nxx" style="background-color:#fffaf0;"></div>

	==See Also==		==See Also==
Line 29:		Line 31:
	</StructureSection>		</StructureSection>
	[[Category: Dihydrofolate reductase]]		[[Category: Dihydrofolate reductase]]
-	[[Category: ~~Homo sapiens~~]]	+	[[Category: Human]]
	[[Category: Cody, V]]		[[Category: Cody, V]]
	[[Category: Chiral mixtures preferential selection]]		[[Category: Chiral mixtures preferential selection]]
	[[Category: Oxidoreductase]]		[[Category: Oxidoreductase]]

OCA at 07:03, 19 December 2014

OCA — Fri, 19 Dec 2014 07:03:05 GMT

←Older revision		Revision as of 07:03, 19 December 2014
Line 1:		Line 1:
-	~~{{STRUCTURE_3nxx\| PDB=3nxx \| SCENE= }}~~	+	==Preferential Selection of Isomer Binding from Chiral Mixtures: Alternate Binding Modes Observed for the E- and Z-isomers of a Series of 5-Substituted 2,4-Diaminofuro-2,3-d]pyrimidines as Ternary Complexes with NADPH and Human Dihydrofolate Reductase==
-	===Preferential Selection of Isomer Binding from Chiral Mixtures: Alternate Binding Modes Observed for the E- and Z-isomers of a Series of 5-Substituted 2,4-Diaminofuro-2,3-d]pyrimidines as Ternary Complexes with NADPH and Human Dihydrofolate Reductase===	+	<StructureSection load='3nxx' size='340' side='right' caption='[[3nxx]], [[Resolution\|resolution]] 1.35Å' scene=''>
-	~~{{ABSTRACT_PUBMED_21123866}}~~	+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[3nxx]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3NXX OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3NXX FirstGlance]. <br>
		+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=D2D:5-[(1E)-2-(2-METHOXYPHENYL)-4-METHYLPENT-1-EN-1-YL]FURO[2,3-D]PYRIMIDINE-2,4-DIAMINE'>D2D</scene>, <scene name='pdbligand=NDP:NADPH+DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE+PHOSPHATE'>NDP</scene></td></tr>
		+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[3nxo\|3nxo]], [[3nxr\|3nxr]], [[3nxt\|3nxt]], [[3nxv\|3nxv]], [[3nxy\|3nxy]], [[3nz6\|3nz6]], [[3nz9\|3nz9]], [[3nza\|3nza]], [[3nzb\|3nzb]], [[3nzc\|3nzc]], [[3nzd\|3nzd]], [[3gyf\|3gyf]], [[3d7y\|3d7y]], [[3d7x\|3d7x]]</td></tr>
		+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">DHFR, DHFRP1 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 Homo sapiens])</td></tr>
		+	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Dihydrofolate_reductase Dihydrofolate reductase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.5.1.3 1.5.1.3] </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=3nxx FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3nxx OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3nxx RCSB], [http://www.ebi.ac.uk/pdbsum/3nxx PDBsum]</span></td></tr>
		+	</table>
		+	== Disease ==
		+	[[http://www.uniprot.org/uniprot/DYR_HUMAN DYR_HUMAN]] Defects in DHFR are the cause of megaloblastic anemia due to dihydrofolate reductase deficiency (DHFRD) [MIM:[http://omim.org/entry/613839 613839]]. DHFRD is an inborn error of metabolism, characterized by megaloblastic anemia and/or pancytopenia, severe cerebral folate deficiency, and cerebral tetrahydrobiopterin deficiency. Clinical features include variable neurologic symptoms, ranging from severe developmental delay and generalized seizures in infancy, to childhood absence epilepsy with learning difficulties, to lack of symptoms.<ref>PMID:21310276</ref> <ref>PMID:21310277</ref>
		+	== Function ==
		+	[[http://www.uniprot.org/uniprot/DYR_HUMAN DYR_HUMAN]] Key enzyme in folate metabolism. Contributes to the de novo mitochondrial thymidylate biosynthesis pathway. Catalyzes an essential reaction for de novo glycine and purine synthesis, and for DNA precursor synthesis. Binds its own mRNA and that of DHFRL1.<ref>PMID:21876188</ref> <ref>PMID:12096917</ref>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	The crystal structures of six human dihydrofolate reductase (hDHFR) ternary complexes with NADPH and a series of mixed E/Z isomers of 5-substituted 5-[2-(2-methoxyphenyl)-prop-1-en-1-yl]furo[2,3-d]pyrimidine-2,4-diamines substituted at the C9 position with propyl, isopropyl, cyclopropyl, butyl, isobutyl and sec-butyl (E2-E7, Z3) were determined and the results were compared with the resolved E and Z isomers of the C9-methyl parent compound. The configuration of all of the inhibitors, save one, was observed as the E isomer, in which the binding of the furopyrimidine ring is flipped such that the 4-amino group binds in the 4-oxo site of folate. The Z3 isomer of the C9-isopropyl analog has the normal 2,4-diaminopyrimidine ring binding geometry, with the furo oxygen near Glu30 and the 4-amino group interacting near the cofactor nicotinamide ring. Electron-density maps for these structures revealed the binding of only one isomer to hDHFR, despite the fact that chiral mixtures (E:Z ratios of 2:1, 3:1 and 3:2) of the inhibitors were incubated with hDHFR prior to crystallization. Superposition of the hDHFR complexes with E2 and Z3 shows that the 2'-methoxyphenyl ring of E2 is perpendicular to that of Z3. The most potent inhibitor in this series is the isopropyl analog Z3 and the least potent is the isobutyl analog E6, consistent with data that show that the Z isomer makes the most favorable interactions with the active-site residues. The isobutyl moiety of E6 is observed in two orientations and the resultant steric crowding of the E6 analog is consistent with its weaker activity. The alternative binding modes observed for the furopyrimidine ring in these E/Z isomers suggest that new templates can be designed to probe these binding regions of the DHFR active site.

-	~~==Disease==~~	+	Preferential selection of isomer binding from chiral mixtures: alternate binding modes observed for the E and Z isomers of a series of 5-substituted 2,4-diaminofuro[2,3-d]pyrimidines as ternary complexes with NADPH and human dihydrofolate reductase.,Cody V, Piraino J, Pace J, Li W, Gangjee A Acta Crystallogr D Biol Crystallogr. 2010 Dec;66(Pt 12):1271-7. Epub 2010, Nov 16. PMID:21123866<ref>PMID:21123866</ref>
-	~~[[http~~:~~//www.uniprot.org/uniprot/DYR_HUMAN DYR_HUMAN]] Defects in DHFR are~~ the ~~cause~~ of ~~megaloblastic anemia due to~~ dihydrofolate reductase ~~deficiency (DHFRD) [MIM:[http://omim~~.~~org/entry/613839 613839]]. DHFRD is an inborn error of metabolism~~, ~~characterized by megaloblastic anemia and/or pancytopenia~~, ~~severe cerebral folate deficiency~~, ~~and cerebral tetrahydrobiopterin deficiency. Clinical features include variable neurologic symptoms~~, ~~ranging from severe developmental delay and generalized seizures in infancy~~, ~~to childhood absence epilepsy with learning difficulties~~, ~~to lack of symptoms~~.~~<ref>~~PMID:~~21310276</ref>~~<ref>PMID:~~21310277~~</ref>	+

-	~~==Function==~~	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-	~~[[http:~~/~~/www.uniprot.org/uniprot/DYR_HUMAN DYR_HUMAN]] Key enzyme in folate metabolism. Contributes to~~ the ~~de novo mitochondrial thymidylate biosynthesis pathway~~. ~~Catalyzes an essential reaction for de novo glycine and purine synthesis, and for DNA precursor synthesis~~. ~~Binds its own mRNA and that~~ of ~~DHFRL1~~.<~~ref~~>~~PMID:21876188~~</~~ref~~>~~<ref>PMID:12096917</ref>~~	+	</div>
-		+
-	~~==About this Structure==~~	+
-	[[3nxx]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3NXX OCA].	+

	==See Also==		==See Also==
	*[[Dihydrofolate reductase\|Dihydrofolate reductase]]		*[[Dihydrofolate reductase\|Dihydrofolate reductase]]
-		+	== References ==
-	==~~Reference~~==	+	<references/>
-	~~<ref group="xtra">PMID:021123866</ref>~~<references ~~group="xtra"~~/><~~references~~/>	+	__TOC__
		+	</StructureSection>
	[[Category: Dihydrofolate reductase]]		[[Category: Dihydrofolate reductase]]
	[[Category: Homo sapiens]]		[[Category: Homo sapiens]]
-	[[Category: Cody, V.]]	+	[[Category: Cody, V]]
	[[Category: Chiral mixtures preferential selection]]		[[Category: Chiral mixtures preferential selection]]
	[[Category: Oxidoreductase]]		[[Category: Oxidoreductase]]

OCA at 04:46, 25 March 2013

OCA — Mon, 25 Mar 2013 04:46:39 GMT

←Older revision		Revision as of 04:46, 25 March 2013
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-	[[Image:3nxx.png\|left\|200px]]
-
	{{STRUCTURE_3nxx\| PDB=3nxx \| SCENE= }}		{{STRUCTURE_3nxx\| PDB=3nxx \| SCENE= }}
-
	===Preferential Selection of Isomer Binding from Chiral Mixtures: Alternate Binding Modes Observed for the E- and Z-isomers of a Series of 5-Substituted 2,4-Diaminofuro-2,3-d]pyrimidines as Ternary Complexes with NADPH and Human Dihydrofolate Reductase===		===Preferential Selection of Isomer Binding from Chiral Mixtures: Alternate Binding Modes Observed for the E- and Z-isomers of a Series of 5-Substituted 2,4-Diaminofuro-2,3-d]pyrimidines as Ternary Complexes with NADPH and Human Dihydrofolate Reductase===
		+	{{ABSTRACT_PUBMED_21123866}}

-	~~{{ABSTRACT_PUBMED_21123866}}~~	+	==Disease==
		+	[[http://www.uniprot.org/uniprot/DYR_HUMAN DYR_HUMAN]] Defects in DHFR are the cause of megaloblastic anemia due to dihydrofolate reductase deficiency (DHFRD) [MIM:[http://omim.org/entry/613839 613839]]. DHFRD is an inborn error of metabolism, characterized by megaloblastic anemia and/or pancytopenia, severe cerebral folate deficiency, and cerebral tetrahydrobiopterin deficiency. Clinical features include variable neurologic symptoms, ranging from severe developmental delay and generalized seizures in infancy, to childhood absence epilepsy with learning difficulties, to lack of symptoms.<ref>PMID:21310276</ref><ref>PMID:21310277</ref>
		+
		+	==Function==
		+	[[http://www.uniprot.org/uniprot/DYR_HUMAN DYR_HUMAN]] Key enzyme in folate metabolism. Contributes to the de novo mitochondrial thymidylate biosynthesis pathway. Catalyzes an essential reaction for de novo glycine and purine synthesis, and for DNA precursor synthesis. Binds its own mRNA and that of DHFRL1.<ref>PMID:21876188</ref><ref>PMID:12096917</ref>

	==About this Structure==		==About this Structure==
Line 14:		Line 16:

	==Reference==		==Reference==
-	<ref group="xtra">PMID:021123866</ref><references group="xtra"/>	+	<ref group="xtra">PMID:021123866</ref><references group="xtra"/><references/>
	[[Category: Dihydrofolate reductase]]		[[Category: Dihydrofolate reductase]]
	[[Category: Homo sapiens]]		[[Category: Homo sapiens]]

OCA at 08:54, 20 October 2012

OCA — Sat, 20 Oct 2012 08:54:54 GMT

←Older revision		Revision as of 08:54, 20 October 2012
Line 8:		Line 8:

	==About this Structure==		==About this Structure==
-	[[3nxx]] is a 1 chain structure ~~of [[Dihydrofolate reductase]]~~ with sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3NXX OCA].	+	[[3nxx]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3NXX OCA].

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

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

OCA — Wed, 25 Jul 2012 21:10:53 GMT

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

←Older revision

Revision as of 21:10, 25 July 2012

OCA at 21:10, 25 July 2012

OCA — Wed, 25 Jul 2012 21:10:51 GMT

←Older revision		Revision as of 21:10, 25 July 2012
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-	~~{{Seed}}~~	+	[[Image:3nxx.png\|left\|200px]]
-	[[Image:3nxx.~~jpg~~\|left\|200px]]	+

-	<!--
-	The line below this paragraph, containing "STRUCTURE_3nxx", creates the "Structure Box" on the page.
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	{{STRUCTURE_3nxx\| PDB=3nxx \| SCENE= }}		{{STRUCTURE_3nxx\| PDB=3nxx \| SCENE= }}

	===Preferential Selection of Isomer Binding from Chiral Mixtures: Alternate Binding Modes Observed for the E- and Z-isomers of a Series of 5-Substituted 2,4-Diaminofuro-2,3-d]pyrimidines as Ternary Complexes with NADPH and Human Dihydrofolate Reductase===		===Preferential Selection of Isomer Binding from Chiral Mixtures: Alternate Binding Modes Observed for the E- and Z-isomers of a Series of 5-Substituted 2,4-Diaminofuro-2,3-d]pyrimidines as Ternary Complexes with NADPH and Human Dihydrofolate Reductase===

-
-	<!--
-	The line below this paragraph, {{ABSTRACT_PUBMED_21123866}}, adds the Publication Abstract to the page
-	(as it appears on PubMed at http://www.pubmed.gov), where 21123866 is the PubMed ID number.
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	{{ABSTRACT_PUBMED_21123866}}		{{ABSTRACT_PUBMED_21123866}}

	==About this Structure==		==About this Structure==
-	~~3NXX~~ is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3NXX OCA].	+	[[3nxx]] is a 1 chain structure of [[Dihydrofolate reductase]] with sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3NXX OCA].
		+
		+	==See Also==
		+	*[[Dihydrofolate reductase\|Dihydrofolate reductase]]

	==Reference==		==Reference==
-	<ref group="xtra">PMID:~~21123866~~</ref><references group="xtra"/>	+	<ref group="xtra">PMID:021123866</ref><references group="xtra"/>
	[[Category: Dihydrofolate reductase]]		[[Category: Dihydrofolate reductase]]
	[[Category: Homo sapiens]]		[[Category: Homo sapiens]]
Line 29:		Line 20:
	[[Category: Chiral mixtures preferential selection]]		[[Category: Chiral mixtures preferential selection]]
	[[Category: Oxidoreductase]]		[[Category: Oxidoreductase]]
-
-	''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Wed Dec 15 08:42:10 2010''

OCA at 05:29, 15 December 2010

OCA — Wed, 15 Dec 2010 05:29:51 GMT

←Older revision		Revision as of 05:29, 15 December 2010
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-	~~'''Unreleased structure'''~~	+	{{Seed}}
		+	[[Image:3nxx.jpg\|left\|200px]]

-	The ~~entry 3nxx~~ is ~~ON HOLD~~ ~~until Paper Publication~~	+	<!--
		+	The line below this paragraph, containing "STRUCTURE_3nxx", 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_3nxx\| PDB=3nxx \| SCENE= }}

-	~~Authors~~: ~~Cody~~, V.	+	===Preferential Selection of Isomer Binding from Chiral Mixtures: Alternate Binding Modes Observed for the E- and Z-isomers of a Series of 5-Substituted 2,4-Diaminofuro-2,3-d]pyrimidines as Ternary Complexes with NADPH and Human Dihydrofolate Reductase===

-	Description: Preferential Selection of Isomer Binding from Chiral Mixtures: Alternate Binding Modes Observed for the E-and Z-isomers of a Series of 5-Substituted 2,4-Diaminofuro-2,3-d]pyrimidines as Ternary Complexes with NADPH and Human Dihydrofolate Reductase

-	''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Wed ~~Aug 25~~ 08:36:44 2010''	+	<!--
		+	The line below this paragraph, {{ABSTRACT_PUBMED_21123866}}, adds the Publication Abstract to the page
		+	(as it appears on PubMed at http://www.pubmed.gov), where 21123866 is the PubMed ID number.
		+	-->
		+	{{ABSTRACT_PUBMED_21123866}}
		+
		+	==About this Structure==
		+	3NXX is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3NXX OCA].
		+
		+	==Reference==
		+	<ref group="xtra">PMID:21123866</ref><references group="xtra"/>
		+	[[Category: Dihydrofolate reductase]]
		+	[[Category: Homo sapiens]]
		+	[[Category: Cody, V.]]
		+	[[Category: Chiral mixtures preferential selection]]
		+	[[Category: Oxidoreductase]]
		+
		+	''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Wed Dec 15 08:42:10 2010''