2pdm - Revision history

OCA at 10:59, 30 August 2023

2023-08-30T10:59:25Z

← Older revision		Revision as of 10:59, 30 August 2023
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	<StructureSection load='2pdm' size='340' side='right'caption='[[2pdm]], [[Resolution\|resolution]] 1.75Å' scene=''>		<StructureSection load='2pdm' size='340' side='right'caption='[[2pdm]], [[Resolution\|resolution]] 1.75Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[2pdm]] 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=2PDM OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2PDM FirstGlance]. <br>		<table><tr><td colspan='2'>[[2pdm]] 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=2PDM OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2PDM FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=NAP:NADP+NICOTINAMIDE-ADENINE-DINUCLEOTIDE+PHOSPHATE'>NAP</scene>, <scene name='pdbligand=ZST:3,4-DIHYDRO-4-OXO-3-((5-TRIFLUOROMETHYL-2-BENZOTHIAZOLYL)METHYL)-1-PHTHALAZINE+ACETIC+ACID'>ZST</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]] 1.75Å</td></tr>
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat"><div style='overflow: auto; max-height: 3em;'>[[1hvn\|1hvn]], [[2pd5\|2pd5]], [[2pd9\|2pd9]], [[2pdb\|2pdb]], [[2pdc\|2pdc]], [[2pdf\|2pdf]], [[2pdg\|2pdg]], [[2pdh\|2pdh]], [[2pdi\|2pdi]], [[2pdj\|2pdj]], [[2pdk\|2pdk]], [[2pdl\|2pdl]], [[2pdn\|2pdn]], [[2pdp\|2pdp]], [[2pdq\|2pdq]], [[2pdu\|2pdu]], [[2pdw\|2pdw]], [[2pdx\|2pdx]], [[2pdy\|2pdy]]</div></td></tr>		<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=NAP:NADP+NICOTINAMIDE-ADENINE-DINUCLEOTIDE+PHOSPHATE'>NAP</scene>, <scene name='pdbligand=ZST:3,4-DIHYDRO-4-OXO-3-((5-TRIFLUOROMETHYL-2-BENZOTHIAZOLYL)METHYL)-1-PHTHALAZINE+ACETIC+ACID'>ZST</scene></td></tr>
	~~<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">ALR2 ([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/Aldehyde_reductase Aldehyde reductase], with EC number [https://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.1.1.21 1.1.1.21] </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=2pdm FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2pdm OCA], [https://pdbe.org/2pdm PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2pdm RCSB], [https://www.ebi.ac.uk/pdbsum/2pdm PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2pdm 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=2pdm FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2pdm OCA], [https://pdbe.org/2pdm PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2pdm RCSB], [https://www.ebi.ac.uk/pdbsum/2pdm PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2pdm ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
	[[https://www.uniprot.org/uniprot/ALDR_HUMAN ALDR_HUMAN]] Catalyzes the NADPH-dependent reduction of a wide variety of carbonyl-containing compounds to their corresponding alcohols with a broad range of catalytic efficiencies.		[https://www.uniprot.org/uniprot/ALDR_HUMAN ALDR_HUMAN] Catalyzes the NADPH-dependent reduction of a wide variety of carbonyl-containing compounds to their corresponding alcohols with a broad range of catalytic efficiencies.
	== Evolutionary Conservation ==		== Evolutionary Conservation ==
	[[Image:Consurf_key_small.gif\|200px\|right]]		[[Image:Consurf_key_small.gif\|200px\|right]]
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	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
	[[Category: ~~Aldehyde reductase]]~~		[[Category: Homo sapiens]]
	~~[[Category: Human~~]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
	[[Category: Heine, A]]		[[Category: Heine A]]
	[[Category: Klebe, G]]		[[Category: Klebe G]]
	[[Category: Steuber, H]]		[[Category: Steuber H]]
	~~[[Category: Oxidoreductase]]~~
	~~[[Category: Tim barrel~~]]

OCA at 15:21, 17 June 2021

2021-06-17T15:21:42Z

← Older revision		Revision as of 15:21, 17 June 2021
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	==Human aldose reductase mutant S302R complexed with zopolrestat.==		==Human aldose reductase mutant S302R complexed with zopolrestat.==
	<StructureSection load='2pdm' size='340' side='right' caption='[[2pdm]], [[Resolution\|resolution]] 1.75Å' scene=''>		<StructureSection load='2pdm' size='340' side='right'caption='[[2pdm]], [[Resolution\|resolution]] 1.75Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[2pdm]] 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=2PDM OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=2PDM FirstGlance]. <br>		<table><tr><td colspan='2'>[[2pdm]] 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=2PDM OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2PDM FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=NAP:NADP+NICOTINAMIDE-ADENINE-DINUCLEOTIDE+PHOSPHATE'>NAP</scene>, <scene name='pdbligand=ZST:3,4-DIHYDRO-4-OXO-3-((5-TRIFLUOROMETHYL-2-BENZOTHIAZOLYL)METHYL)-1-PHTHALAZINE+ACETIC+ACID'>ZST</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=NAP:NADP+NICOTINAMIDE-ADENINE-DINUCLEOTIDE+PHOSPHATE'>NAP</scene>, <scene name='pdbligand=ZST:3,4-DIHYDRO-4-OXO-3-((5-TRIFLUOROMETHYL-2-BENZOTHIAZOLYL)METHYL)-1-PHTHALAZINE+ACETIC+ACID'>ZST</scene></td></tr>
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1hvn\|1hvn]], [[2pd5\|2pd5]], [[2pd9\|2pd9]], [[2pdb\|2pdb]], [[2pdc\|2pdc]], [[2pdf\|2pdf]], [[2pdg\|2pdg]], [[2pdh\|2pdh]], [[2pdi\|2pdi]], [[2pdj\|2pdj]], [[2pdk\|2pdk]], [[2pdl\|2pdl]], [[2pdn\|2pdn]], [[2pdp\|2pdp]], [[2pdq\|2pdq]], [[2pdu\|2pdu]], [[2pdw\|2pdw]], [[2pdx\|2pdx]], [[2pdy\|2pdy]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat"><div style='overflow: auto; max-height: 3em;'>[[1hvn\|1hvn]], [[2pd5\|2pd5]], [[2pd9\|2pd9]], [[2pdb\|2pdb]], [[2pdc\|2pdc]], [[2pdf\|2pdf]], [[2pdg\|2pdg]], [[2pdh\|2pdh]], [[2pdi\|2pdi]], [[2pdj\|2pdj]], [[2pdk\|2pdk]], [[2pdl\|2pdl]], [[2pdn\|2pdn]], [[2pdp\|2pdp]], [[2pdq\|2pdq]], [[2pdu\|2pdu]], [[2pdw\|2pdw]], [[2pdx\|2pdx]], [[2pdy\|2pdy]]</div></td></tr>
	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">ALR2 ([~~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">ALR2 ([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/Aldehyde_reductase Aldehyde reductase], with EC number [~~http~~://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.1.1.21 1.1.1.21] </span></td></tr>		<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[https://en.wikipedia.org/wiki/Aldehyde_reductase Aldehyde reductase], with EC number [https://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.1.1.21 1.1.1.21] </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=2pdm FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2pdm OCA], [~~http~~://pdbe.org/2pdm PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=2pdm RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/2pdm PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=2pdm 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=2pdm FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2pdm OCA], [https://pdbe.org/2pdm PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2pdm RCSB], [https://www.ebi.ac.uk/pdbsum/2pdm PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2pdm ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
	[[~~http~~://www.uniprot.org/uniprot/ALDR_HUMAN ALDR_HUMAN]] Catalyzes the NADPH-dependent reduction of a wide variety of carbonyl-containing compounds to their corresponding alcohols with a broad range of catalytic efficiencies.		[[https://www.uniprot.org/uniprot/ALDR_HUMAN ALDR_HUMAN]] Catalyzes the NADPH-dependent reduction of a wide variety of carbonyl-containing compounds to their corresponding alcohols with a broad range of catalytic efficiencies.
	== Evolutionary Conservation ==		== Evolutionary Conservation ==
	[[Image:Consurf_key_small.gif\|200px\|right]]		[[Image:Consurf_key_small.gif\|200px\|right]]
Line 33:		Line 33:

	==See Also==		==See Also==
	*[[Aldose ~~Reductase~~\|Aldose ~~Reductase~~]]		*[[Aldose reductase 3D structures\|Aldose reductase 3D structures]]
	== References ==		== References ==
	<references/>		<references/>
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	[[Category: Aldehyde reductase]]		[[Category: Aldehyde reductase]]
	[[Category: Human]]		[[Category: Human]]
			[[Category: Large Structures]]
	[[Category: Heine, A]]		[[Category: Heine, A]]
	[[Category: Klebe, G]]		[[Category: Klebe, G]]

OCA at 08:56, 29 August 2018

2018-08-29T08:56:18Z

← Older revision		Revision as of 08:56, 29 August 2018
Line 1:		Line 1:

	==Human aldose reductase mutant S302R complexed with zopolrestat.==		==Human aldose reductase mutant S302R complexed with zopolrestat.==
	<StructureSection load='2pdm' size='340' side='right' caption='[[2pdm]], [[Resolution\|resolution]] 1.75Å' scene=''>		<StructureSection load='2pdm' size='340' side='right' caption='[[2pdm]], [[Resolution\|resolution]] 1.75Å' scene=''>
Line 7:		Line 8:
	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">ALR2 ([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">ALR2 ([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/Aldehyde_reductase Aldehyde reductase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.1.1.21 1.1.1.21] </span></td></tr>		<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Aldehyde_reductase Aldehyde reductase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.1.1.21 1.1.1.21] </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=2pdm FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2pdm OCA], [http://pdbe.org/2pdm PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=2pdm RCSB], [http://www.ebi.ac.uk/pdbsum/2pdm 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=2pdm FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2pdm OCA], [http://pdbe.org/2pdm PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=2pdm RCSB], [http://www.ebi.ac.uk/pdbsum/2pdm PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=2pdm ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
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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/pd/2pdm_consurf.spt"</scriptWhenChecked>		<scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/pd/2pdm_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 03:26, 9 February 2016

2016-02-09T03:26:02Z

← Older revision		Revision as of 03:26, 9 February 2016
Line 19:		Line 19:
	<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=2pdm ConSurf].
	<div style="clear:both"></div>		<div style="clear:both"></div>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">

OCA at 18:09, 10 September 2015

2015-09-10T18:09:36Z

← Older revision		Revision as of 18:09, 10 September 2015
Line 2:		Line 2:
	<StructureSection load='2pdm' size='340' side='right' caption='[[2pdm]], [[Resolution\|resolution]] 1.75Å' scene=''>		<StructureSection load='2pdm' size='340' side='right' caption='[[2pdm]], [[Resolution\|resolution]] 1.75Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[2pdm]] 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=2PDM OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2PDM FirstGlance]. <br>		<table><tr><td colspan='2'>[[2pdm]] 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=2PDM OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2PDM FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=NAP:NADP+NICOTINAMIDE-ADENINE-DINUCLEOTIDE+PHOSPHATE'>NAP</scene>, <scene name='pdbligand=ZST:3,4-DIHYDRO-4-OXO-3-((5-TRIFLUOROMETHYL-2-BENZOTHIAZOLYL)METHYL)-1-PHTHALAZINE+ACETIC+ACID'>ZST</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=NAP:NADP+NICOTINAMIDE-ADENINE-DINUCLEOTIDE+PHOSPHATE'>NAP</scene>, <scene name='pdbligand=ZST:3,4-DIHYDRO-4-OXO-3-((5-TRIFLUOROMETHYL-2-BENZOTHIAZOLYL)METHYL)-1-PHTHALAZINE+ACETIC+ACID'>ZST</scene></td></tr>
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1hvn\|1hvn]], [[2pd5\|2pd5]], [[2pd9\|2pd9]], [[2pdb\|2pdb]], [[2pdc\|2pdc]], [[2pdf\|2pdf]], [[2pdg\|2pdg]], [[2pdh\|2pdh]], [[2pdi\|2pdi]], [[2pdj\|2pdj]], [[2pdk\|2pdk]], [[2pdl\|2pdl]], [[2pdn\|2pdn]], [[2pdp\|2pdp]], [[2pdq\|2pdq]], [[2pdu\|2pdu]], [[2pdw\|2pdw]], [[2pdx\|2pdx]], [[2pdy\|2pdy]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1hvn\|1hvn]], [[2pd5\|2pd5]], [[2pd9\|2pd9]], [[2pdb\|2pdb]], [[2pdc\|2pdc]], [[2pdf\|2pdf]], [[2pdg\|2pdg]], [[2pdh\|2pdh]], [[2pdi\|2pdi]], [[2pdj\|2pdj]], [[2pdk\|2pdk]], [[2pdl\|2pdl]], [[2pdn\|2pdn]], [[2pdp\|2pdp]], [[2pdq\|2pdq]], [[2pdu\|2pdu]], [[2pdw\|2pdw]], [[2pdx\|2pdx]], [[2pdy\|2pdy]]</td></tr>
	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">ALR2 ([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">ALR2 ([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/Aldehyde_reductase Aldehyde reductase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.1.1.21 1.1.1.21] </span></td></tr>		<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Aldehyde_reductase Aldehyde reductase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.1.1.21 1.1.1.21] </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=2pdm FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2pdm OCA], [http://www.rcsb.org/pdb/explore.do?structureId=2pdm RCSB], [http://www.ebi.ac.uk/pdbsum/2pdm 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=2pdm FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2pdm OCA], [http://pdbe.org/2pdm PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=2pdm RCSB], [http://www.ebi.ac.uk/pdbsum/2pdm PDBsum]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
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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 2pdm" style="background-color:#fffaf0;"></div>

	==See Also==		==See Also==
Line 37:		Line 38:
	</StructureSection>		</StructureSection>
	[[Category: Aldehyde reductase]]		[[Category: Aldehyde reductase]]
	[[Category: ~~Homo sapiens~~]]		[[Category: Human]]
	[[Category: Heine, A]]		[[Category: Heine, A]]
	[[Category: Klebe, G]]		[[Category: Klebe, G]]

OCA at 04:05, 25 December 2014

2014-12-25T04:05:04Z

← Older revision		Revision as of 04:05, 25 December 2014
Line 3:		Line 3:
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[2pdm]] 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=2PDM OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2PDM FirstGlance]. <br>		<table><tr><td colspan='2'>[[2pdm]] 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=2PDM OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2PDM FirstGlance]. <br>
	</td></tr><tr><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=NAP:NADP+NICOTINAMIDE-ADENINE-DINUCLEOTIDE+PHOSPHATE'>NAP</scene>, <scene name='pdbligand=ZST:3,4-DIHYDRO-4-OXO-3-((5-TRIFLUOROMETHYL-2-BENZOTHIAZOLYL)METHYL)-1-PHTHALAZINE+ACETIC+ACID'>ZST</scene><br>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=NAP:NADP+NICOTINAMIDE-ADENINE-DINUCLEOTIDE+PHOSPHATE'>NAP</scene>, <scene name='pdbligand=ZST:3,4-DIHYDRO-4-OXO-3-((5-TRIFLUOROMETHYL-2-BENZOTHIAZOLYL)METHYL)-1-PHTHALAZINE+ACETIC+ACID'>ZST</scene></td></tr>
	<tr><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1hvn\|1hvn]], [[2pd5\|2pd5]], [[2pd9\|2pd9]], [[2pdb\|2pdb]], [[2pdc\|2pdc]], [[2pdf\|2pdf]], [[2pdg\|2pdg]], [[2pdh\|2pdh]], [[2pdi\|2pdi]], [[2pdj\|2pdj]], [[2pdk\|2pdk]], [[2pdl\|2pdl]], [[2pdn\|2pdn]], [[2pdp\|2pdp]], [[2pdq\|2pdq]], [[2pdu\|2pdu]], [[2pdw\|2pdw]], [[2pdx\|2pdx]], [[2pdy\|2pdy]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1hvn\|1hvn]], [[2pd5\|2pd5]], [[2pd9\|2pd9]], [[2pdb\|2pdb]], [[2pdc\|2pdc]], [[2pdf\|2pdf]], [[2pdg\|2pdg]], [[2pdh\|2pdh]], [[2pdi\|2pdi]], [[2pdj\|2pdj]], [[2pdk\|2pdk]], [[2pdl\|2pdl]], [[2pdn\|2pdn]], [[2pdp\|2pdp]], [[2pdq\|2pdq]], [[2pdu\|2pdu]], [[2pdw\|2pdw]], [[2pdx\|2pdx]], [[2pdy\|2pdy]]</td></tr>
	<tr><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">ALR2 ([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">ALR2 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 Homo sapiens])</td></tr>
	<tr><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Aldehyde_reductase Aldehyde reductase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.1.1.21 1.1.1.21] </span></td></tr>		<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Aldehyde_reductase Aldehyde reductase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.1.1.21 1.1.1.21] </span></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=2pdm FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2pdm OCA], [http://www.rcsb.org/pdb/explore.do?structureId=2pdm RCSB], [http://www.ebi.ac.uk/pdbsum/2pdm 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=2pdm FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2pdm OCA], [http://www.rcsb.org/pdb/explore.do?structureId=2pdm RCSB], [http://www.ebi.ac.uk/pdbsum/2pdm PDBsum]</span></td></tr>
	<table>		</table>
			== Function ==
			[[http://www.uniprot.org/uniprot/ALDR_HUMAN ALDR_HUMAN]] Catalyzes the NADPH-dependent reduction of a wide variety of carbonyl-containing compounds to their corresponding alcohols with a broad range of catalytic efficiencies.
	== Evolutionary Conservation ==		== Evolutionary Conservation ==
	[[Image:Consurf_key_small.gif\|200px\|right]]		[[Image:Consurf_key_small.gif\|200px\|right]]
Line 36:		Line 38:
	[[Category: Aldehyde reductase]]		[[Category: Aldehyde reductase]]
	[[Category: Homo sapiens]]		[[Category: Homo sapiens]]
	[[Category: Heine, A.]]		[[Category: Heine, A]]
	[[Category: Klebe, G.]]		[[Category: Klebe, G]]
	[[Category: Steuber, H.]]		[[Category: Steuber, H]]
	[[Category: Oxidoreductase]]		[[Category: Oxidoreductase]]
	[[Category: Tim barrel]]		[[Category: Tim barrel]]

OCA at 09:16, 29 September 2014

2014-09-29T09:16:46Z

← Older revision		Revision as of 09:16, 29 September 2014
Line 1:		Line 1:
	[[Image:~~2pdm~~.~~png~~\|~~left~~\|~~200px~~]]		==Human aldose reductase mutant S302R complexed with zopolrestat.==
			<StructureSection load='2pdm' size='340' side='right' caption='[[2pdm]], [[Resolution\|resolution]] 1.75Å' scene=''>
			== Structural highlights ==
			<table><tr><td colspan='2'>[[2pdm]] 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=2PDM OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2PDM FirstGlance]. <br>
			</td></tr><tr><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=NAP:NADP+NICOTINAMIDE-ADENINE-DINUCLEOTIDE+PHOSPHATE'>NAP</scene>, <scene name='pdbligand=ZST:3,4-DIHYDRO-4-OXO-3-((5-TRIFLUOROMETHYL-2-BENZOTHIAZOLYL)METHYL)-1-PHTHALAZINE+ACETIC+ACID'>ZST</scene><br>
			<tr><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1hvn\|1hvn]], [[2pd5\|2pd5]], [[2pd9\|2pd9]], [[2pdb\|2pdb]], [[2pdc\|2pdc]], [[2pdf\|2pdf]], [[2pdg\|2pdg]], [[2pdh\|2pdh]], [[2pdi\|2pdi]], [[2pdj\|2pdj]], [[2pdk\|2pdk]], [[2pdl\|2pdl]], [[2pdn\|2pdn]], [[2pdp\|2pdp]], [[2pdq\|2pdq]], [[2pdu\|2pdu]], [[2pdw\|2pdw]], [[2pdx\|2pdx]], [[2pdy\|2pdy]]</td></tr>
			<tr><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">ALR2 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 Homo sapiens])</td></tr>
			<tr><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Aldehyde_reductase Aldehyde reductase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.1.1.21 1.1.1.21] </span></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=2pdm FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2pdm OCA], [http://www.rcsb.org/pdb/explore.do?structureId=2pdm RCSB], [http://www.ebi.ac.uk/pdbsum/2pdm 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/pd/2pdm_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 ==
			Inhibition of human aldose reductase (ALR2) evolved as a promising therapeutic concept to prevent late complications of diabetes. As well as appropriate affinity and bioavailability, putative inhibitors should possess a high level of selectivity for ALR2 over the related aldehyde reductase (ALR1). We investigated the selectivity-determining features by gradually mapping the residues deviating between the binding pockets of ALR1 and ALR2 into the ALR2 binding pocket. The resulting mutational constructs of ALR2 (eight point mutations and one double mutant) were probed for their influence towards ligand selectivity by X-ray structure analysis of the corresponding complexes and isothermal titration calorimetry (ITC). The binding properties of these mutants were evaluated using a ligand set of zopolrestat, a related uracil derivative, IDD388, IDD393, sorbinil, fidarestat and tolrestat. Our study revealed induced-fit adaptations within the mutated binding site as an essential prerequisite for ligand accommodation related to the selectivity discrimination of the ligands. However, our study also highlights the limits of the present understanding of protein-ligand interactions. Interestingly, binding site mutations not involved in any direct interaction to the ligands in various cases show significant effects towards their binding thermodynamics. Furthermore, our results suggest the binding site residues deviating between ALR1 and ALR2 influence ligand affinity in a complex interplay, presumably involving changes of dynamic properties and differences of the solvation/desolvation balance upon ligand binding.

	~~{{STRUCTURE_2pdm\| PDB=2pdm \| SCENE= }}~~		Merging the binding sites of aldose and aldehyde reductase for detection of inhibitor selectivity-determining features.,Steuber H, Heine A, Podjarny A, Klebe G J Mol Biol. 2008 Jun 20;379(5):991-1016. Epub 2008 Apr 8. PMID:18495158<ref>PMID:18495158</ref>

	~~===Human aldose reductase mutant S302R complexed with zopolrestat.===~~		From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
			</div>
	~~{{ABSTRACT_PUBMED_18495158}}~~

	~~==About this Structure==~~
	~~[[2pdm]] 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=2PDM OCA].~~

	==See Also==		==See Also==
	*[[Aldose Reductase\|Aldose Reductase]]		*[[Aldose Reductase\|Aldose Reductase]]
			== References ==
	==~~Reference~~==		<references/>
	<~~ref group="xtra">PMID:018495158<~~/~~ref~~><~~references group="xtra"~~/>		__TOC__
			</StructureSection>
	[[Category: Aldehyde reductase]]		[[Category: Aldehyde reductase]]
	[[Category: Homo sapiens]]		[[Category: Homo sapiens]]

OCA at 12:28, 20 October 2012

2012-10-20T12:28:51Z

← Older revision		Revision as of 12:28, 20 October 2012
Line 8:		Line 8:

	==About this Structure==		==About this Structure==
	[[2pdm]] is a 1 chain structure ~~of [[Aldose 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=2PDM OCA].		[[2pdm]] 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=2PDM OCA].

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

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

2012-07-26T08:51:50Z

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

← Older revision	Revision as of 08:51, 26 July 2012
(No difference)

OCA at 08:51, 26 July 2012

2012-07-26T08:51:48Z

← Older revision		Revision as of 08:51, 26 July 2012
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	~~{{Seed}}~~
	[[Image:2pdm.png\|left\|200px]]		[[Image:2pdm.png\|left\|200px]]

	~~<!--~~
	~~The line below this paragraph, containing "STRUCTURE_2pdm", 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_2pdm\| PDB=2pdm \| SCENE= }}		{{STRUCTURE_2pdm\| PDB=2pdm \| SCENE= }}

	===Human aldose reductase mutant S302R complexed with zopolrestat.===		===Human aldose reductase mutant S302R complexed with zopolrestat.===


	~~<!--~~
	~~The line below this paragraph, {{ABSTRACT_PUBMED_18495158}}, adds the Publication Abstract to the page~~
	~~(as it appears on PubMed at http://www.pubmed.gov), where 18495158 is the PubMed ID number.~~
	~~-->~~
	{{ABSTRACT_PUBMED_18495158}}		{{ABSTRACT_PUBMED_18495158}}

	==About this Structure==		==About this Structure==
	~~2PDM~~ is a 1 chain structure of 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=2PDM OCA].		[[2pdm]] is a 1 chain structure of [[Aldose 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=2PDM OCA].

			==See Also==
			*[[Aldose Reductase\|Aldose Reductase]]

	==Reference==		==Reference==
	<ref group="xtra">PMID:~~18495158~~</ref><references group="xtra"/>		<ref group="xtra">PMID:018495158</ref><references group="xtra"/>
	[[Category: Aldehyde reductase]]		[[Category: Aldehyde reductase]]
	[[Category: Homo sapiens]]		[[Category: Homo sapiens]]
Line 31:		Line 22:
	[[Category: Oxidoreductase]]		[[Category: Oxidoreductase]]
	[[Category: Tim barrel]]		[[Category: Tim barrel]]

	~~''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Tue Feb 17 06:05:31 2009''~~