3bmq - Revision history

OCA at 08:19, 19 January 2022

OCA — Wed, 19 Jan 2022 08:19:33 GMT

←Older revision		Revision as of 08:19, 19 January 2022
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	==Structure of Pteridine Reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor (NADP+) and inhibitor (Compound AX5)==		==Structure of Pteridine Reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor (NADP+) and inhibitor (Compound AX5)==
-	<StructureSection load='3bmq' size='340' side='right' caption='[[3bmq]], [[Resolution\|resolution]] 1.70Å' scene=''>	+	<StructureSection load='3bmq' size='340' side='right'caption='[[3bmq]], [[Resolution\|resolution]] 1.70Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[3bmq]] is a 4 chain structure with sequence from [~~http~~://en.wikipedia.org/wiki/Trybb Trybb]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3BMQ OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=3BMQ FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[3bmq]] is a 4 chain structure with sequence from [https://en.wikipedia.org/wiki/Trybb Trybb]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3BMQ OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3BMQ FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=ACT:ACETATE+ION'>ACT</scene>, <scene name='pdbligand=AX5:6-(BENZYLSULFANYL)PYRIMIDINE-2,4-DIAMINE'>AX5</scene>, <scene name='pdbligand=DTT:2,3-DIHYDROXY-1,4-DITHIOBUTANE'>DTT</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=NAP:NADP+NICOTINAMIDE-ADENINE-DINUCLEOTIDE+PHOSPHATE'>NAP</scene></td></tr>	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=ACT:ACETATE+ION'>ACT</scene>, <scene name='pdbligand=AX5:6-(BENZYLSULFANYL)PYRIMIDINE-2,4-DIAMINE'>AX5</scene>, <scene name='pdbligand=DTT:2,3-DIHYDROXY-1,4-DITHIOBUTANE'>DTT</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=NAP:NADP+NICOTINAMIDE-ADENINE-DINUCLEOTIDE+PHOSPHATE'>NAP</scene></td></tr>
	<tr id='NonStdRes'><td class="sblockLbl"><b>[[Non-Standard_Residue\|NonStd Res:]]</b></td><td class="sblockDat"><scene name='pdbligand=CSX:S-OXY+CYSTEINE'>CSX</scene></td></tr>		<tr id='NonStdRes'><td class="sblockLbl"><b>[[Non-Standard_Residue\|NonStd Res:]]</b></td><td class="sblockDat"><scene name='pdbligand=CSX:S-OXY+CYSTEINE'>CSX</scene></td></tr>
-	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[2c7v\|2c7v]], [[3bmc\|3bmc]], [[3bmd\|3bmd]], [[3bme\|3bme]], [[3bmf\|3bmf]], [[3bmg\|3bmg]], [[3bmh\|3bmh]], [[3bmi\|3bmi]], [[3bmj\|3bmj]], [[3bmk\|3bmk]], [[3bml\|3bml]], [[3bmm\|3bmm]], [[3bmn\|3bmn]], [[3bmo\|3bmo]], [[3bmr\|3bmr]], [[3bms\|3bms]], [[3bmt\|3bmt]]</td></tr>	+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat"><div style='overflow: auto; max-height: 3em;'>[[2c7v\|2c7v]], [[3bmc\|3bmc]], [[3bmd\|3bmd]], [[3bme\|3bme]], [[3bmf\|3bmf]], [[3bmg\|3bmg]], [[3bmh\|3bmh]], [[3bmi\|3bmi]], [[3bmj\|3bmj]], [[3bmk\|3bmk]], [[3bml\|3bml]], [[3bmm\|3bmm]], [[3bmn\|3bmn]], [[3bmo\|3bmo]], [[3bmr\|3bmr]], [[3bms\|3bms]], [[3bmt\|3bmt]]</div></td></tr>
-	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">PTR1 ([~~http~~://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=5702 TRYBB])</td></tr>	+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">PTR1 ([https://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=5702 TRYBB])</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=3bmq FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3bmq OCA], [~~http~~://pdbe.org/3bmq PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=3bmq RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/3bmq PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=3bmq 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=3bmq FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3bmq OCA], [https://pdbe.org/3bmq PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3bmq RCSB], [https://www.ebi.ac.uk/pdbsum/3bmq PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3bmq ProSAT]</span></td></tr>
	</table>		</table>
	== Evolutionary Conservation ==		== Evolutionary Conservation ==
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	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: Large Structures]]
	[[Category: Trybb]]		[[Category: Trybb]]
	[[Category: Hunter, W N]]		[[Category: Hunter, W N]]

OCA at 07:58, 31 October 2018

OCA — Wed, 31 Oct 2018 07:58:50 GMT

←Older revision		Revision as of 07:58, 31 October 2018
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		+
	==Structure of Pteridine Reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor (NADP+) and inhibitor (Compound AX5)==		==Structure of Pteridine Reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor (NADP+) and inhibitor (Compound AX5)==
	<StructureSection load='3bmq' size='340' side='right' caption='[[3bmq]], [[Resolution\|resolution]] 1.70Å' scene=''>		<StructureSection load='3bmq' size='340' side='right' caption='[[3bmq]], [[Resolution\|resolution]] 1.70Å' scene=''>
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	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[2c7v\|2c7v]], [[3bmc\|3bmc]], [[3bmd\|3bmd]], [[3bme\|3bme]], [[3bmf\|3bmf]], [[3bmg\|3bmg]], [[3bmh\|3bmh]], [[3bmi\|3bmi]], [[3bmj\|3bmj]], [[3bmk\|3bmk]], [[3bml\|3bml]], [[3bmm\|3bmm]], [[3bmn\|3bmn]], [[3bmo\|3bmo]], [[3bmr\|3bmr]], [[3bms\|3bms]], [[3bmt\|3bmt]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[2c7v\|2c7v]], [[3bmc\|3bmc]], [[3bmd\|3bmd]], [[3bme\|3bme]], [[3bmf\|3bmf]], [[3bmg\|3bmg]], [[3bmh\|3bmh]], [[3bmi\|3bmi]], [[3bmj\|3bmj]], [[3bmk\|3bmk]], [[3bml\|3bml]], [[3bmm\|3bmm]], [[3bmn\|3bmn]], [[3bmo\|3bmo]], [[3bmr\|3bmr]], [[3bms\|3bms]], [[3bmt\|3bmt]]</td></tr>
	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">PTR1 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=5702 TRYBB])</td></tr>		<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">PTR1 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=5702 TRYBB])</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=3bmq FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3bmq OCA], [http://pdbe.org/3bmq PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=3bmq RCSB], [http://www.ebi.ac.uk/pdbsum/3bmq 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=3bmq FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3bmq OCA], [http://pdbe.org/3bmq PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=3bmq RCSB], [http://www.ebi.ac.uk/pdbsum/3bmq PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=3bmq ProSAT]</span></td></tr>
	</table>		</table>
	== Evolutionary Conservation ==		== Evolutionary Conservation ==
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	Check<jmol>		Check<jmol>
	<jmolCheckbox>		<jmolCheckbox>
-	<scriptWhenChecked>select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/bm/3bmq_consurf.spt"</scriptWhenChecked>	+	<scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/bm/3bmq_consurf.spt"</scriptWhenChecked>
	<scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.spt</scriptWhenUnchecked>		<scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.spt</scriptWhenUnchecked>
	<text>to colour the structure by Evolutionary Conservation</text>		<text>to colour the structure by Evolutionary Conservation</text>

OCA at 21:00, 7 February 2016

OCA — Sun, 07 Feb 2016 21:00:32 GMT

←Older revision		Revision as of 21:00, 7 February 2016
Line 2:		Line 2:
	<StructureSection load='3bmq' size='340' side='right' caption='[[3bmq]], [[Resolution\|resolution]] 1.70Å' scene=''>		<StructureSection load='3bmq' size='340' side='right' caption='[[3bmq]], [[Resolution\|resolution]] 1.70Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[3bmq]] is a 4 chain structure with sequence from [http://en.wikipedia.org/wiki/~~Trypanosoma_brucei_brucei Trypanosoma brucei brucei~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3BMQ OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3BMQ FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[3bmq]] is a 4 chain structure with sequence from [http://en.wikipedia.org/wiki/Trybb Trybb]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3BMQ OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3BMQ FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=ACT:ACETATE+ION'>ACT</scene>, <scene name='pdbligand=AX5:6-(BENZYLSULFANYL)PYRIMIDINE-2,4-DIAMINE'>AX5</scene>, <scene name='pdbligand=DTT:2,3-DIHYDROXY-1,4-DITHIOBUTANE'>DTT</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=NAP:NADP+NICOTINAMIDE-ADENINE-DINUCLEOTIDE+PHOSPHATE'>NAP</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=ACT:ACETATE+ION'>ACT</scene>, <scene name='pdbligand=AX5:6-(BENZYLSULFANYL)PYRIMIDINE-2,4-DIAMINE'>AX5</scene>, <scene name='pdbligand=DTT:2,3-DIHYDROXY-1,4-DITHIOBUTANE'>DTT</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=NAP:NADP+NICOTINAMIDE-ADENINE-DINUCLEOTIDE+PHOSPHATE'>NAP</scene></td></tr>
	<tr id='NonStdRes'><td class="sblockLbl"><b>[[Non-Standard_Residue\|NonStd Res:]]</b></td><td class="sblockDat"><scene name='pdbligand=CSX:S-OXY+CYSTEINE'>CSX</scene></td></tr>		<tr id='NonStdRes'><td class="sblockLbl"><b>[[Non-Standard_Residue\|NonStd Res:]]</b></td><td class="sblockDat"><scene name='pdbligand=CSX:S-OXY+CYSTEINE'>CSX</scene></td></tr>
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[2c7v\|2c7v]], [[3bmc\|3bmc]], [[3bmd\|3bmd]], [[3bme\|3bme]], [[3bmf\|3bmf]], [[3bmg\|3bmg]], [[3bmh\|3bmh]], [[3bmi\|3bmi]], [[3bmj\|3bmj]], [[3bmk\|3bmk]], [[3bml\|3bml]], [[3bmm\|3bmm]], [[3bmn\|3bmn]], [[3bmo\|3bmo]], [[3bmr\|3bmr]], [[3bms\|3bms]], [[3bmt\|3bmt]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[2c7v\|2c7v]], [[3bmc\|3bmc]], [[3bmd\|3bmd]], [[3bme\|3bme]], [[3bmf\|3bmf]], [[3bmg\|3bmg]], [[3bmh\|3bmh]], [[3bmi\|3bmi]], [[3bmj\|3bmj]], [[3bmk\|3bmk]], [[3bml\|3bml]], [[3bmm\|3bmm]], [[3bmn\|3bmn]], [[3bmo\|3bmo]], [[3bmr\|3bmr]], [[3bms\|3bms]], [[3bmt\|3bmt]]</td></tr>
-	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">PTR1 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=5702 ~~Trypanosoma brucei brucei~~])</td></tr>	+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">PTR1 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=5702 TRYBB])</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=3bmq FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3bmq OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3bmq RCSB], [http://www.ebi.ac.uk/pdbsum/3bmq 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=3bmq FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3bmq OCA], [http://pdbe.org/3bmq PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=3bmq RCSB], [http://www.ebi.ac.uk/pdbsum/3bmq PDBsum]</span></td></tr>
	</table>		</table>
	== Evolutionary Conservation ==		== Evolutionary Conservation ==
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	<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=3bmq ConSurf].
	<div style="clear:both"></div>		<div style="clear:both"></div>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
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	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 3bmq" style="background-color:#fffaf0;"></div>

	==See Also==		==See Also==
Line 34:		Line 35:
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: ~~Trypanosoma brucei brucei~~]]	+	[[Category: Trybb]]
	[[Category: Hunter, W N]]		[[Category: Hunter, W N]]
	[[Category: Iulek, J]]		[[Category: Iulek, J]]

OCA at 09:25, 20 January 2015

OCA — Tue, 20 Jan 2015 09:25:39 GMT

←Older revision		Revision as of 09:25, 20 January 2015
Line 35:		Line 35:
	</StructureSection>		</StructureSection>
	[[Category: Trypanosoma brucei brucei]]		[[Category: Trypanosoma brucei brucei]]
-	[[Category: Hunter, W N.]]	+	[[Category: Hunter, W N]]
-	[[Category: Iulek, J.]]	+	[[Category: Iulek, J]]
-	[[Category: Martini, V P.]]	+	[[Category: Martini, V P]]
	[[Category: Inhibitor]]		[[Category: Inhibitor]]
	[[Category: Oxidoreductase]]		[[Category: Oxidoreductase]]

OCA at 06:37, 10 October 2014

OCA — Fri, 10 Oct 2014 06:37:59 GMT

←Older revision		Revision as of 06:37, 10 October 2014
Line 3:		Line 3:
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[3bmq]] is a 4 chain structure with sequence from [http://en.wikipedia.org/wiki/Trypanosoma_brucei_brucei Trypanosoma brucei brucei]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3BMQ OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3BMQ FirstGlance]. <br>		<table><tr><td colspan='2'>[[3bmq]] is a 4 chain structure with sequence from [http://en.wikipedia.org/wiki/Trypanosoma_brucei_brucei Trypanosoma brucei brucei]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3BMQ OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3BMQ FirstGlance]. <br>
-	</td></tr><tr><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=ACT:ACETATE+ION'>ACT</scene>, <scene name='pdbligand=AX5:6-(BENZYLSULFANYL)PYRIMIDINE-2,4-DIAMINE'>AX5</scene>, <scene name='pdbligand=DTT:2,3-DIHYDROXY-1,4-DITHIOBUTANE'>DTT</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=NAP:NADP+NICOTINAMIDE-ADENINE-DINUCLEOTIDE+PHOSPHATE'>NAP</scene><br>	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=ACT:ACETATE+ION'>ACT</scene>, <scene name='pdbligand=AX5:6-(BENZYLSULFANYL)PYRIMIDINE-2,4-DIAMINE'>AX5</scene>, <scene name='pdbligand=DTT:2,3-DIHYDROXY-1,4-DITHIOBUTANE'>DTT</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=NAP:NADP+NICOTINAMIDE-ADENINE-DINUCLEOTIDE+PHOSPHATE'>NAP</scene></td></tr>
-	<tr><td class="sblockLbl"><b>[[Non-Standard_Residue\|NonStd Res:]]</b></td><td class="sblockDat"><scene name='pdbligand=CSX:S-OXY+CYSTEINE'>CSX</scene></td></tr>	+	<tr id='NonStdRes'><td class="sblockLbl"><b>[[Non-Standard_Residue\|NonStd Res:]]</b></td><td class="sblockDat"><scene name='pdbligand=CSX:S-OXY+CYSTEINE'>CSX</scene></td></tr>
-	<tr><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[2c7v\|2c7v]], [[3bmc\|3bmc]], [[3bmd\|3bmd]], [[3bme\|3bme]], [[3bmf\|3bmf]], [[3bmg\|3bmg]], [[3bmh\|3bmh]], [[3bmi\|3bmi]], [[3bmj\|3bmj]], [[3bmk\|3bmk]], [[3bml\|3bml]], [[3bmm\|3bmm]], [[3bmn\|3bmn]], [[3bmo\|3bmo]], [[3bmr\|3bmr]], [[3bms\|3bms]], [[3bmt\|3bmt]]</td></tr>	+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[2c7v\|2c7v]], [[3bmc\|3bmc]], [[3bmd\|3bmd]], [[3bme\|3bme]], [[3bmf\|3bmf]], [[3bmg\|3bmg]], [[3bmh\|3bmh]], [[3bmi\|3bmi]], [[3bmj\|3bmj]], [[3bmk\|3bmk]], [[3bml\|3bml]], [[3bmm\|3bmm]], [[3bmn\|3bmn]], [[3bmo\|3bmo]], [[3bmr\|3bmr]], [[3bms\|3bms]], [[3bmt\|3bmt]]</td></tr>
-	<tr><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">PTR1 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=5702 Trypanosoma brucei brucei])</td></tr>	+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">PTR1 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=5702 Trypanosoma brucei brucei])</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=3bmq FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3bmq OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3bmq RCSB], [http://www.ebi.ac.uk/pdbsum/3bmq 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=3bmq FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3bmq OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3bmq RCSB], [http://www.ebi.ac.uk/pdbsum/3bmq PDBsum]</span></td></tr>
-	<table>	+	</table>
	== Evolutionary Conservation ==		== Evolutionary Conservation ==
	[[Image:Consurf_key_small.gif\|200px\|right]]		[[Image:Consurf_key_small.gif\|200px\|right]]
Line 25:		Line 25:
	Structure-Based Design of Pteridine Reductase Inhibitors Targeting African Sleeping Sickness and the Leishmaniases.,Tulloch LB, Martini VP, Iulek J, Huggan JK, Lee JH, Gibson CL, Smith TK, Suckling CJ, Hunter WN J Med Chem. 2009 Nov 16. PMID:19916554<ref>PMID:19916554</ref>		Structure-Based Design of Pteridine Reductase Inhibitors Targeting African Sleeping Sickness and the Leishmaniases.,Tulloch LB, Martini VP, Iulek J, Huggan JK, Lee JH, Gibson CL, Smith TK, Suckling CJ, Hunter WN J Med Chem. 2009 Nov 16. PMID:19916554<ref>PMID:19916554</ref>

-	From ~~MEDLINEÂ®~~/~~PubMedÂ®~~, 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>
		+
		+	==See Also==
		+	*[[Pteridine reductase\|Pteridine reductase]]
	== References ==		== References ==
	<references/>		<references/>

OCA at 09:38, 21 May 2014

OCA — Wed, 21 May 2014 09:38:29 GMT

←Older revision		Revision as of 09:38, 21 May 2014
Line 1:		Line 1:
-	[[~~Image:~~3bmq.~~png~~\|~~left~~\|200px]]	+	==Structure of Pteridine Reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor (NADP+) and inhibitor (Compound AX5)==
		+	<StructureSection load='3bmq' size='340' side='right' caption='[[3bmq]], [[Resolution\|resolution]] 1.70Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[3bmq]] is a 4 chain structure with sequence from [http://en.wikipedia.org/wiki/Trypanosoma_brucei_brucei Trypanosoma brucei brucei]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3BMQ OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3BMQ FirstGlance]. <br>
		+	</td></tr><tr><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=ACT:ACETATE+ION'>ACT</scene>, <scene name='pdbligand=AX5:6-(BENZYLSULFANYL)PYRIMIDINE-2,4-DIAMINE'>AX5</scene>, <scene name='pdbligand=DTT:2,3-DIHYDROXY-1,4-DITHIOBUTANE'>DTT</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=NAP:NADP+NICOTINAMIDE-ADENINE-DINUCLEOTIDE+PHOSPHATE'>NAP</scene><br>
		+	<tr><td class="sblockLbl"><b>[[Non-Standard_Residue\|NonStd Res:]]</b></td><td class="sblockDat"><scene name='pdbligand=CSX:S-OXY+CYSTEINE'>CSX</scene></td></tr>
		+	<tr><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[2c7v\|2c7v]], [[3bmc\|3bmc]], [[3bmd\|3bmd]], [[3bme\|3bme]], [[3bmf\|3bmf]], [[3bmg\|3bmg]], [[3bmh\|3bmh]], [[3bmi\|3bmi]], [[3bmj\|3bmj]], [[3bmk\|3bmk]], [[3bml\|3bml]], [[3bmm\|3bmm]], [[3bmn\|3bmn]], [[3bmo\|3bmo]], [[3bmr\|3bmr]], [[3bms\|3bms]], [[3bmt\|3bmt]]</td></tr>
		+	<tr><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">PTR1 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=5702 Trypanosoma brucei brucei])</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=3bmq FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3bmq OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3bmq RCSB], [http://www.ebi.ac.uk/pdbsum/3bmq 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/bm/3bmq_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 ==
		+	Pteridine reductase (PTR1) is a target for drug development against Trypanosoma and Leishmania species, parasites that cause serious tropical diseases and for which therapies are inadequate. We adopted a structure-based approach to the design of novel PTR1 inhibitors based on three molecular scaffolds. A series of compounds, most newly synthesized, were identified as inhibitors with PTR1-species specific properties explained by structural differences between the T. brucei and L. major enzymes. The most potent inhibitors target T. brucei PTR1, and two compounds displayed antiparasite activity against the bloodstream form of the parasite. PTR1 contributes to antifolate drug resistance by providing a molecular bypass of dihydrofolate reductase (DHFR) inhibition. Therefore, combining PTR1 and DHFR inhibitors might improve therapeutic efficacy. We tested two new compounds with known DHFR inhibitors. A synergistic effect was observed for one particular combination highlighting the potential of such an approach for treatment of African sleeping sickness.

-	<!--	+	Structure-Based Design of Pteridine Reductase Inhibitors Targeting African Sleeping Sickness and the Leishmaniases.,Tulloch LB, Martini VP, Iulek J, Huggan JK, Lee JH, Gibson CL, Smith TK, Suckling CJ, Hunter WN J Med Chem. 2009 Nov 16. PMID:19916554<ref>PMID:19916554</ref>
-	~~The line below this paragraph, containing "STRUCTURE_3bmq", 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_3bmq\| PDB=3bmq \| SCENE= }}~~	+

-	~~===Structure~~ of ~~Pteridine Reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor (NADP+) and inhibitor (Compound AX5)===~~	+	From MEDLINEÂ®/PubMedÂ®, a database of the U.S. National Library of Medicine.<br>
-		+	</div>
-		+	== References ==
-	~~<!--~~	+	<references/>
-	~~The line below this paragraph, {{ABSTRACT_PUBMED_19916554}}, adds~~ the ~~Publication Abstract to the page~~	+	__TOC__
-	~~(as it appears on PubMed at http://www~~.~~pubmed~~.~~gov), where 19916554 is the PubMed ID number~~.	+	</StructureSection>
-	-->	+
-	~~{{ABSTRACT_PUBMED_19916554}}~~	+
-		+
-	~~==About this Structure==~~	+
-	~~[[3bmq]] is a 4 chain structure with sequence from [http:~~/~~/en.wikipedia.org/wiki/Trypanosoma_brucei_brucei Trypanosoma brucei brucei]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3BMQ OCA].~~	+
-		+
-	==~~Reference~~==	+
-	<~~ref group="xtra">PMID:019916554<~~/~~ref~~><~~references group="xtra"~~/>	+
	[[Category: Trypanosoma brucei brucei]]		[[Category: Trypanosoma brucei brucei]]
	[[Category: Hunter, W N.]]		[[Category: Hunter, W N.]]

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

OCA — Sat, 02 Jun 2012 08:49:12 GMT

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

←Older revision

Revision as of 08:49, 2 June 2012