2wpf - Revision history

OCA at 10:13, 20 December 2023

2023-12-20T10:13:12Z

← Older revision		Revision as of 10:13, 20 December 2023
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	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[2wpf]] is a 4 chain structure with sequence from [https://en.wikipedia.org/wiki/Trypanosoma_brucei_brucei_TREU927 Trypanosoma brucei brucei TREU927]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2WPF OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2WPF FirstGlance]. <br>		<table><tr><td colspan='2'>[[2wpf]] is a 4 chain structure with sequence from [https://en.wikipedia.org/wiki/Trypanosoma_brucei_brucei_TREU927 Trypanosoma brucei brucei TREU927]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2WPF OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2WPF FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=BR:BROMIDE+ION'>BR</scene>, <scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene>, <scene name='pdbligand=FAD:FLAVIN-ADENINE+DINUCLEOTIDE'>FAD</scene>, <scene name='pdbligand=WPF:3-[(4S)-6-CHLORO-2-METHYL-4-(4-METHYLPHENYL)QUINAZOLIN-3(4H)-YL]-N,N-DIMETHYLPROPAN-1-AMINE'>WPF</scene></td></tr>		</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models\|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution\|Resolution]] 1.9Å</td></tr>
			<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=BR:BROMIDE+ION'>BR</scene>, <scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene>, <scene name='pdbligand=FAD:FLAVIN-ADENINE+DINUCLEOTIDE'>FAD</scene>, <scene name='pdbligand=WPF:3-[(4S)-6-CHLORO-2-METHYL-4-(4-METHYLPHENYL)QUINAZOLIN-3(4H)-YL]-N,N-DIMETHYLPROPAN-1-AMINE'>WPF</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=2wpf FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2wpf OCA], [https://pdbe.org/2wpf PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2wpf RCSB], [https://www.ebi.ac.uk/pdbsum/2wpf PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2wpf 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=2wpf FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2wpf OCA], [https://pdbe.org/2wpf PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2wpf RCSB], [https://www.ebi.ac.uk/pdbsum/2wpf PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2wpf ProSAT]</span></td></tr>
	</table>		</table>

OCA at 20:55, 12 April 2023

2023-04-12T20:55:45Z

← Older revision		Revision as of 20:55, 12 April 2023
Line 3:		Line 3:
	<StructureSection load='2wpf' size='340' side='right'caption='[[2wpf]], [[Resolution\|resolution]] 1.90Å' scene=''>		<StructureSection load='2wpf' size='340' side='right'caption='[[2wpf]], [[Resolution\|resolution]] 1.90Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[2wpf]] is a 4 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2WPF OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2WPF FirstGlance]. <br>		<table><tr><td colspan='2'>[[2wpf]] is a 4 chain structure with sequence from [https://en.wikipedia.org/wiki/Trypanosoma_brucei_brucei_TREU927 Trypanosoma brucei brucei TREU927]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2WPF OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2WPF FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=BR:BROMIDE+ION'>BR</scene>, <scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene>, <scene name='pdbligand=FAD:FLAVIN-ADENINE+DINUCLEOTIDE'>FAD</scene>, <scene name='pdbligand=WPF:3-[(4S)-6-CHLORO-2-METHYL-4-(4-METHYLPHENYL)QUINAZOLIN-3(4H)-YL]-N,N-DIMETHYLPROPAN-1-AMINE'>WPF</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=BR:BROMIDE+ION'>BR</scene>, <scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene>, <scene name='pdbligand=FAD:FLAVIN-ADENINE+DINUCLEOTIDE'>FAD</scene>, <scene name='pdbligand=WPF:3-[(4S)-6-CHLORO-2-METHYL-4-(4-METHYLPHENYL)QUINAZOLIN-3(4H)-YL]-N,N-DIMETHYLPROPAN-1-AMINE'>WPF</scene></td></tr>
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat"><div style='overflow: auto; max-height: 3em;'>[[2wov\|2wov]], [[2wp6\|2wp6]], [[2wpe\|2wpe]], [[2wp5\|2wp5]], [[2wpc\|2wpc]], [[2woi\|2woi]], [[2wow\|2wow]]</div></td></tr>
	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[https://en.wikipedia.org/wiki/Trypanothione-disulfide_reductase Trypanothione-disulfide reductase], with EC number [https://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.8.1.12 1.8.1.12] </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=2wpf FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2wpf OCA], [https://pdbe.org/2wpf PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2wpf RCSB], [https://www.ebi.ac.uk/pdbsum/2wpf PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2wpf 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=2wpf FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2wpf OCA], [https://pdbe.org/2wpf PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2wpf RCSB], [https://www.ebi.ac.uk/pdbsum/2wpf PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2wpf ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
	[[https://www.uniprot.org/uniprot/~~TYTR_TRYBB TYTR_TRYBB~~]~~] Trypanothione is the parasite analog of glutathione; this enzyme is the equivalent of glutathione reductase.~~		[https://www.uniprot.org/uniprot/Q389T8_TRYB2 Q389T8_TRYB2]
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
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	</StructureSection>		</StructureSection>
	[[Category: Large Structures]]		[[Category: Large Structures]]
	[[Category: ~~Trypanothione-disulfide reductase~~]]		[[Category: Trypanosoma brucei brucei TREU927]]
	[[Category: Alphey~~, M S~~]]		[[Category: Alphey MS]]
	[[Category: Fairlamb~~, A H~~]]		[[Category: Fairlamb AH]]
	[[Category: Patterson, S]]		[[Category: Patterson S]]
	~~[[Category: Flavoprotein]]~~
	~~[[Category: Oxidoreductase]]~~
	~~[[Category: Redox-active center]]~~
	~~[[Category: Sleeping sickness]]~~
	~~[[Category: Trypanosomiasis~~]]

OCA at 10:57, 7 July 2021

2021-07-07T10:57:27Z

← Older revision		Revision as of 10:57, 7 July 2021
Line 3:		Line 3:
	<StructureSection load='2wpf' size='340' side='right'caption='[[2wpf]], [[Resolution\|resolution]] 1.90Å' scene=''>		<StructureSection load='2wpf' size='340' side='right'caption='[[2wpf]], [[Resolution\|resolution]] 1.90Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[2wpf]] is a 4 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2WPF OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=2WPF FirstGlance]. <br>		<table><tr><td colspan='2'>[[2wpf]] is a 4 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2WPF OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2WPF FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=BR:BROMIDE+ION'>BR</scene>, <scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene>, <scene name='pdbligand=FAD:FLAVIN-ADENINE+DINUCLEOTIDE'>FAD</scene>, <scene name='pdbligand=WPF:3-[(4S)-6-CHLORO-2-METHYL-4-(4-METHYLPHENYL)QUINAZOLIN-3(4H)-YL]-N,N-DIMETHYLPROPAN-1-AMINE'>WPF</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=BR:BROMIDE+ION'>BR</scene>, <scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene>, <scene name='pdbligand=FAD:FLAVIN-ADENINE+DINUCLEOTIDE'>FAD</scene>, <scene name='pdbligand=WPF:3-[(4S)-6-CHLORO-2-METHYL-4-(4-METHYLPHENYL)QUINAZOLIN-3(4H)-YL]-N,N-DIMETHYLPROPAN-1-AMINE'>WPF</scene></td></tr>
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[2wov\|2wov]], [[2wp6\|2wp6]], [[2wpe\|2wpe]], [[2wp5\|2wp5]], [[2wpc\|2wpc]], [[2woi\|2woi]], [[2wow\|2wow]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat"><div style='overflow: auto; max-height: 3em;'>[[2wov\|2wov]], [[2wp6\|2wp6]], [[2wpe\|2wpe]], [[2wp5\|2wp5]], [[2wpc\|2wpc]], [[2woi\|2woi]], [[2wow\|2wow]]</div></td></tr>
	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[~~http~~://en.wikipedia.org/wiki/Trypanothione-disulfide_reductase Trypanothione-disulfide reductase], with EC number [~~http~~://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.8.1.12 1.8.1.12] </span></td></tr>		<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[https://en.wikipedia.org/wiki/Trypanothione-disulfide_reductase Trypanothione-disulfide reductase], with EC number [https://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.8.1.12 1.8.1.12] </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=2wpf FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2wpf OCA], [~~http~~://pdbe.org/2wpf PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=2wpf RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/2wpf PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=2wpf 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=2wpf FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2wpf OCA], [https://pdbe.org/2wpf PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2wpf RCSB], [https://www.ebi.ac.uk/pdbsum/2wpf PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2wpf ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
	[[~~http~~://www.uniprot.org/uniprot/TYTR_TRYBB TYTR_TRYBB]] Trypanothione is the parasite analog of glutathione; this enzyme is the equivalent of glutathione reductase.		[[https://www.uniprot.org/uniprot/TYTR_TRYBB TYTR_TRYBB]] Trypanothione is the parasite analog of glutathione; this enzyme is the equivalent of glutathione reductase.
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==

OCA at 06:54, 7 August 2019

2019-08-07T06:54:16Z

← Older revision		Revision as of 06:54, 7 August 2019
Line 1:		Line 1:

	==Trypanosoma brucei trypanothione reductase in complex with 3,4- dihydroquinazoline inhibitor (DDD00085762)==		==Trypanosoma brucei trypanothione reductase in complex with 3,4- dihydroquinazoline inhibitor (DDD00085762)==
	<StructureSection load='2wpf' size='340' side='right' caption='[[2wpf]], [[Resolution\|resolution]] 1.90Å' scene=''>		<StructureSection load='2wpf' size='340' side='right'caption='[[2wpf]], [[Resolution\|resolution]] 1.90Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[2wpf]] is a 4 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2WPF OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2WPF FirstGlance]. <br>		<table><tr><td colspan='2'>[[2wpf]] is a 4 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2WPF OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2WPF FirstGlance]. <br>
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	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
			[[Category: Large Structures]]
	[[Category: Trypanothione-disulfide reductase]]		[[Category: Trypanothione-disulfide reductase]]
	[[Category: Alphey, M S]]		[[Category: Alphey, M S]]

OCA at 10:49, 3 August 2017

2017-08-03T10:49:41Z

← Older revision		Revision as of 10:49, 3 August 2017
Line 1:		Line 1:

	==~~TRYPANOSOMA BRUCEI TRYPANOTHIONE REDUCTASE IN COMPLEX WITH~~ 3,4-~~DIHYDROQUINAZOLINE INHIBITOR~~ (DDD00085762)==		==Trypanosoma brucei trypanothione reductase in complex with 3,4- dihydroquinazoline inhibitor (DDD00085762)==
	<StructureSection load='2wpf' size='340' side='right' caption='[[2wpf]], [[Resolution\|resolution]] 1.90Å' scene=''>		<StructureSection load='2wpf' size='340' side='right' caption='[[2wpf]], [[Resolution\|resolution]] 1.90Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[2wpf]] is a 4 chain structure ~~with sequence from [http://en.wikipedia.org/wiki/Trypanosoma_brucei_treu927 Trypanosoma brucei treu927]~~. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2WPF OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2WPF FirstGlance]. <br>		<table><tr><td colspan='2'>[[2wpf]] is a 4 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2WPF OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2WPF FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=BR:BROMIDE+ION'>BR</scene>, <scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene>, <scene name='pdbligand=FAD:FLAVIN-ADENINE+DINUCLEOTIDE'>FAD</scene>, <scene name='pdbligand=WPF:3-[(4S)-6-CHLORO-2-METHYL-4-(4-METHYLPHENYL)QUINAZOLIN-3(4H)-YL]-N,N-DIMETHYLPROPAN-1-AMINE'>WPF</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=BR:BROMIDE+ION'>BR</scene>, <scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene>, <scene name='pdbligand=FAD:FLAVIN-ADENINE+DINUCLEOTIDE'>FAD</scene>, <scene name='pdbligand=WPF:3-[(4S)-6-CHLORO-2-METHYL-4-(4-METHYLPHENYL)QUINAZOLIN-3(4H)-YL]-N,N-DIMETHYLPROPAN-1-AMINE'>WPF</scene></td></tr>
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[2wov\|2wov]], [[2wp6\|2wp6]], [[2wpe\|2wpe]], [[2wp5\|2wp5]], [[2wpc\|2wpc]], [[2woi\|2woi]], [[2wow\|2wow]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[2wov\|2wov]], [[2wp6\|2wp6]], [[2wpe\|2wpe]], [[2wp5\|2wp5]], [[2wpc\|2wpc]], [[2woi\|2woi]], [[2wow\|2wow]]</td></tr>
Line 27:		Line 27:
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
	~~[[Category: Trypanosoma brucei treu927]]~~
	[[Category: Trypanothione-disulfide reductase]]		[[Category: Trypanothione-disulfide reductase]]
	[[Category: Alphey, M S]]		[[Category: Alphey, M S]]

OCA at 22:43, 5 August 2016

2016-08-05T22:43:35Z

← Older revision		Revision as of 22:43, 5 August 2016
Line 1:		Line 1:

	==TRYPANOSOMA BRUCEI TRYPANOTHIONE REDUCTASE IN COMPLEX WITH 3,4-DIHYDROQUINAZOLINE INHIBITOR (DDD00085762)==		==TRYPANOSOMA BRUCEI TRYPANOTHIONE REDUCTASE IN COMPLEX WITH 3,4-DIHYDROQUINAZOLINE INHIBITOR (DDD00085762)==
	<StructureSection load='2wpf' size='340' side='right' caption='[[2wpf]], [[Resolution\|resolution]] 1.90Å' scene=''>		<StructureSection load='2wpf' size='340' side='right' caption='[[2wpf]], [[Resolution\|resolution]] 1.90Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[2wpf]] is a 4 chain structure with sequence from [http://en.wikipedia.org/wiki/~~Trypanosoma_brucei~~ Trypanosoma brucei]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2WPF OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2WPF FirstGlance]. <br>		<table><tr><td colspan='2'>[[2wpf]] is a 4 chain structure with sequence from [http://en.wikipedia.org/wiki/Trypanosoma_brucei_treu927 Trypanosoma brucei treu927]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2WPF OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2WPF FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=BR:BROMIDE+ION'>BR</scene>, <scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene>, <scene name='pdbligand=FAD:FLAVIN-ADENINE+DINUCLEOTIDE'>FAD</scene>, <scene name='pdbligand=WPF:3-[(4S)-6-CHLORO-2-METHYL-4-(4-METHYLPHENYL)QUINAZOLIN-3(4H)-YL]-N,N-DIMETHYLPROPAN-1-AMINE'>WPF</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=BR:BROMIDE+ION'>BR</scene>, <scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene>, <scene name='pdbligand=FAD:FLAVIN-ADENINE+DINUCLEOTIDE'>FAD</scene>, <scene name='pdbligand=WPF:3-[(4S)-6-CHLORO-2-METHYL-4-(4-METHYLPHENYL)QUINAZOLIN-3(4H)-YL]-N,N-DIMETHYLPROPAN-1-AMINE'>WPF</scene></td></tr>
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[2wov\|2wov]], [[2wp6\|2wp6]], [[2wpe\|2wpe]], [[2wp5\|2wp5]], [[2wpc\|2wpc]], [[2woi\|2woi]], [[2wow\|2wow]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[2wov\|2wov]], [[2wp6\|2wp6]], [[2wpe\|2wpe]], [[2wp5\|2wp5]], [[2wpc\|2wpc]], [[2woi\|2woi]], [[2wow\|2wow]]</td></tr>
	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Trypanothione-disulfide_reductase Trypanothione-disulfide reductase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.8.1.12 1.8.1.12] </span></td></tr>		<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Trypanothione-disulfide_reductase Trypanothione-disulfide reductase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.8.1.12 1.8.1.12] </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=2wpf FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2wpf OCA], [http://www.rcsb.org/pdb/explore.do?structureId=2wpf RCSB], [http://www.ebi.ac.uk/pdbsum/2wpf 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=2wpf FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2wpf OCA], [http://pdbe.org/2wpf PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=2wpf RCSB], [http://www.ebi.ac.uk/pdbsum/2wpf PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=2wpf ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
Line 18:		Line 19:
	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 2wpf" style="background-color:#fffaf0;"></div>

	==See Also==		==See Also==
Line 25:		Line 27:
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
	[[Category: Trypanosoma brucei]]		[[Category: Trypanosoma brucei treu927]]
	[[Category: Trypanothione-disulfide reductase]]		[[Category: Trypanothione-disulfide reductase]]
	[[Category: Alphey, M S]]		[[Category: Alphey, M S]]

OCA at 06:30, 25 December 2014

2014-12-25T06:30:03Z

← Older revision		Revision as of 06:30, 25 December 2014
Line 8:		Line 8:
	<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=2wpf FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2wpf OCA], [http://www.rcsb.org/pdb/explore.do?structureId=2wpf RCSB], [http://www.ebi.ac.uk/pdbsum/2wpf 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=2wpf FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2wpf OCA], [http://www.rcsb.org/pdb/explore.do?structureId=2wpf RCSB], [http://www.ebi.ac.uk/pdbsum/2wpf PDBsum]</span></td></tr>
	</table>		</table>
			== Function ==
			[[http://www.uniprot.org/uniprot/TYTR_TRYBB TYTR_TRYBB]] Trypanothione is the parasite analog of glutathione; this enzyme is the equivalent of glutathione reductase.
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==

OCA at 14:13, 17 December 2014

2014-12-17T14:13:28Z

← Older revision		Revision as of 14:13, 17 December 2014
Line 1:		Line 1:
	~~{{STRUCTURE_2wpf\| PDB=2wpf \| SCENE= }}~~		==TRYPANOSOMA BRUCEI TRYPANOTHIONE REDUCTASE IN COMPLEX WITH 3,4-DIHYDROQUINAZOLINE INHIBITOR (DDD00085762)==
	===TRYPANOSOMA BRUCEI TRYPANOTHIONE REDUCTASE IN COMPLEX WITH 3,4-DIHYDROQUINAZOLINE INHIBITOR (DDD00085762)===		<StructureSection load='2wpf' size='340' side='right' caption='[[2wpf]], [[Resolution\|resolution]] 1.90Å' scene=''>
	~~{{ABSTRACT_PUBMED_21851087}}~~		== Structural highlights ==
			<table><tr><td colspan='2'>[[2wpf]] is a 4 chain structure with sequence from [http://en.wikipedia.org/wiki/Trypanosoma_brucei Trypanosoma brucei]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2WPF OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2WPF FirstGlance]. <br>
			</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=BR:BROMIDE+ION'>BR</scene>, <scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene>, <scene name='pdbligand=FAD:FLAVIN-ADENINE+DINUCLEOTIDE'>FAD</scene>, <scene name='pdbligand=WPF:3-[(4S)-6-CHLORO-2-METHYL-4-(4-METHYLPHENYL)QUINAZOLIN-3(4H)-YL]-N,N-DIMETHYLPROPAN-1-AMINE'>WPF</scene></td></tr>
			<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[2wov\|2wov]], [[2wp6\|2wp6]], [[2wpe\|2wpe]], [[2wp5\|2wp5]], [[2wpc\|2wpc]], [[2woi\|2woi]], [[2wow\|2wow]]</td></tr>
			<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Trypanothione-disulfide_reductase Trypanothione-disulfide reductase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.8.1.12 1.8.1.12] </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=2wpf FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2wpf OCA], [http://www.rcsb.org/pdb/explore.do?structureId=2wpf RCSB], [http://www.ebi.ac.uk/pdbsum/2wpf PDBsum]</span></td></tr>
			</table>
			<div style="background-color:#fffaf0;">
			== Publication Abstract from PubMed ==
			Trypanothione reductase (TryR) is a genetically validated drug target in the parasite Trypanosoma brucei , the causative agent of human African trypanosomiasis. Here we report the discovery, synthesis, and development of a novel series of TryR inhibitors based on a 3,4-dihydroquinazoline scaffold. In addition, a high resolution crystal structure of TryR, alone and in complex with substrates and inhibitors from this series, is presented. This represents the first report of a high resolution complex between a noncovalent ligand and this enzyme. Structural studies revealed that upon ligand binding the enzyme undergoes a conformational change to create a new subpocket which is occupied by an aryl group on the ligand. Therefore, the inhibitor, in effect, creates its own small binding pocket within the otherwise large, solvent exposed active site. The TryR-ligand structure was subsequently used to guide the synthesis of inhibitors, including analogues that challenged the induced subpocket. This resulted in the development of inhibitors with improved potency against both TryR and T. brucei parasites in a whole cell assay.

	~~==About this Structure==~~		Dihydroquinazolines as a Novel Class of Trypanosoma brucei Trypanothione Reductase Inhibitors: Discovery, Synthesis, and Characterization of their Binding Mode by Protein Crystallography.,Patterson S, Alphey MS, Jones DC, Shanks EJ, Street IP, Frearson JA, Wyatt PG, Gilbert IH, Fairlamb AH J Med Chem. 2011 Oct 13;54(19):6514-30. Epub 2011 Sep 1. PMID:21851087<ref>PMID:21851087</ref>
	~~[[2wpf]] is~~ a ~~4 chain structure with sequence from [http~~:~~//en~~.~~wikipedia~~.~~org/wiki/Trypanosoma_brucei Trypanosoma brucei]~~. ~~Full crystallographic information is available from [http~~://~~oca~~.~~weizmann~~.ac.il/~~oca-bin/ocashort?id=2WPF OCA].~~
			From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
			</div>

	==See Also==		==See Also==
	*[[Trypanothione reductase\|Trypanothione reductase]]		*[[Trypanothione reductase\|Trypanothione reductase]]
			== References ==
	==~~Reference~~==		<references/>
	<~~ref group="xtra">PMID:021851087<~~/~~ref~~><~~references group="xtra"~~/>		__TOC__
			</StructureSection>
	[[Category: Trypanosoma brucei]]		[[Category: Trypanosoma brucei]]
	[[Category: Trypanothione-disulfide reductase]]		[[Category: Trypanothione-disulfide reductase]]
	[[Category: Alphey, M S.]]		[[Category: Alphey, M S]]
	[[Category: Fairlamb, A H.]]		[[Category: Fairlamb, A H]]
	[[Category: Patterson, S.]]		[[Category: Patterson, S]]
	[[Category: Flavoprotein]]		[[Category: Flavoprotein]]
	[[Category: Oxidoreductase]]		[[Category: Oxidoreductase]]

OCA at 10:57, 11 March 2013

2013-03-11T10:57:26Z

@@ Line 1: / Line 1: @@
 {{STRUCTURE_2wpf|  PDB=2wpf  |  SCENE=  }}
 ===TRYPANOSOMA BRUCEI TRYPANOTHIONE REDUCTASE IN COMPLEX WITH 3,4-DIHYDROQUINAZOLINE INHIBITOR (DDD00085762)===
 {{ABSTRACT_PUBMED_21851087}}
 ==About this Structure==
 [[2wpf]] is a 4 chain structure with sequence from [http://en.wikipedia.org/wiki/Trypanosoma_brucei Trypanosoma brucei]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2WPF OCA].
 ==Reference==

OCA: Protected "2wpf" [edit=sysop:move=sysop]

2011-10-30T08:11:01Z

Protected "2wpf" [edit=sysop:move=sysop]

← Older revision	Revision as of 08:11, 30 October 2011
(No difference)