2qxw

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[[Image:2qxw.jpg|left|200px]]
 
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{{Structure
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==Perdeuterated alr2 in complex with idd594==
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|PDB= 2qxw |SIZE=350|CAPTION= <scene name='initialview01'>2qxw</scene>, resolution 0.80&Aring;
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<StructureSection load='2qxw' size='340' side='right'caption='[[2qxw]], [[Resolution|resolution]] 0.80&Aring;' scene=''>
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|SITE= <scene name='pdbsite=AC1:Ndp+Binding+Site+For+Residue+A+318'>AC1</scene>, <scene name='pdbsite=AC2:Ldt+Binding+Site+For+Residue+A+320'>AC2</scene>, <scene name='pdbsite=AC3:Cit+Binding+Site+For+Residue+A+400'>AC3</scene> and <scene name='pdbsite=AC4:Cit+Binding+Site+For+Residue+A+450'>AC4</scene>
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== Structural highlights ==
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|LIGAND= <scene name='pdbligand=CIT:CITRIC+ACID'>CIT</scene>, <scene name='pdbligand=LDT:IDD594'>LDT</scene>, <scene name='pdbligand=NDP:NADPH+DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE+PHOSPHATE'>NDP</scene>
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<table><tr><td colspan='2'>[[2qxw]] 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=2QXW OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2QXW FirstGlance]. <br>
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|ACTIVITY= <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>
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</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 0.8&#8491;</td></tr>
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|GENE=
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<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=CIT:CITRIC+ACID'>CIT</scene>, <scene name='pdbligand=LDT:IDD594'>LDT</scene>, <scene name='pdbligand=NDP:NADPH+DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE+PHOSPHATE'>NDP</scene></td></tr>
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|DOMAIN=
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<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=2qxw FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2qxw OCA], [https://pdbe.org/2qxw PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2qxw RCSB], [https://www.ebi.ac.uk/pdbsum/2qxw PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2qxw ProSAT]</span></td></tr>
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|RELATEDENTRY=[[1us0|1US0]]
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</table>
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|RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2qxw FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2qxw OCA], [http://www.ebi.ac.uk/pdbsum/2qxw PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=2qxw RCSB]</span>
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== Function ==
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}}
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[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.
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== Evolutionary Conservation ==
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[[Image:Consurf_key_small.gif|200px|right]]
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Check<jmol>
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<jmolCheckbox>
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<scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/qx/2qxw_consurf.spt"</scriptWhenChecked>
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<scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.spt</scriptWhenUnchecked>
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<text>to colour the structure by Evolutionary Conservation</text>
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</jmolCheckbox>
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</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=2qxw ConSurf].
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<div style="clear:both"></div>
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<div style="background-color:#fffaf0;">
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== Publication Abstract from PubMed ==
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We present results of combined studies of the enzyme human aldose reductase (h-AR, 36 kDa) using single-crystal x-ray data (0.66 A, 100K; 0.80 A, 15K; 1.75 A, 293K), neutron Laue data (2.2 A, 293K), and quantum mechanical modeling. These complementary techniques unveil the internal organization and mobility of the hydrogen bond network that defines the properties of the catalytic engine, explaining how this promiscuous enzyme overcomes the simultaneous requirements of efficiency and promiscuity offering a general mechanistic view for this class of enzymes.
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'''Perdeuterated alr2 in complex with idd594'''
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Quantum model of catalysis based on a mobile proton revealed by subatomic x-ray and neutron diffraction studies of h-aldose reductase.,Blakeley MP, Ruiz F, Cachau R, Hazemann I, Meilleur F, Mitschler A, Ginell S, Afonine P, Ventura ON, Cousido-Siah A, Haertlein M, Joachimiak A, Myles D, Podjarny A Proc Natl Acad Sci U S A. 2008 Feb 12;105(6):1844-8. Epub 2008 Feb 4. PMID:18250329<ref>PMID:18250329</ref>
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From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
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</div>
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<div class="pdbe-citations 2qxw" style="background-color:#fffaf0;"></div>
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==Overview==
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==See Also==
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We present results of combined studies of the enzyme human aldose reductase (h-AR, 36 kDa) using single-crystal x-ray data (0.66 A, 100K; 0.80 A, 15K; 1.75 A, 293K), neutron Laue data (2.2 A, 293K), and quantum mechanical modeling. These complementary techniques unveil the internal organization and mobility of the hydrogen bond network that defines the properties of the catalytic engine, explaining how this promiscuous enzyme overcomes the simultaneous requirements of efficiency and promiscuity offering a general mechanistic view for this class of enzymes.
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*[[Aldose reductase 3D structures|Aldose reductase 3D structures]]
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== References ==
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==About this Structure==
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<references/>
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2QXW is a [[Single protein]] 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=2QXW OCA].
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__TOC__
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</StructureSection>
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==Reference==
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Quantum model of catalysis based on a mobile proton revealed by subatomic x-ray and neutron diffraction studies of h-aldose reductase., Blakeley MP, Ruiz F, Cachau R, Hazemann I, Meilleur F, Mitschler A, Ginell S, Afonine P, Ventura ON, Cousido-Siah A, Haertlein M, Joachimiak A, Myles D, Podjarny A, Proc Natl Acad Sci U S A. 2008 Feb 12;105(6):1844-8. Epub 2008 Feb 4. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/18250329 18250329]
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[[Category: Aldehyde reductase]]
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[[Category: Homo sapiens]]
[[Category: Homo sapiens]]
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[[Category: Single protein]]
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[[Category: Large Structures]]
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[[Category: Afonine, P.]]
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[[Category: Afonine P]]
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[[Category: Blakely, M.]]
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[[Category: Blakeley MP]]
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[[Category: Cachau, R.]]
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[[Category: Cachau R]]
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[[Category: Cousido-Siah, A.]]
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[[Category: Cousido-Siah A]]
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[[Category: Ginell, S.]]
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[[Category: Ginell S]]
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[[Category: Hazemann, I.]]
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[[Category: Hazemann I]]
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[[Category: Joachimiak, A.]]
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[[Category: Joachimiak A]]
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[[Category: Meilleur, F.]]
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[[Category: Meilleur F]]
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[[Category: Mitschler, A.]]
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[[Category: Mitschler A]]
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[[Category: Myles, D.]]
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[[Category: Myles D]]
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[[Category: Podjarny, A.]]
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[[Category: Podjarny A]]
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[[Category: Ruiz, F.]]
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[[Category: Ruiz F]]
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[[Category: Ventura, O.]]
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[[Category: Ventura O]]
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[[Category: acetylation]]
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[[Category: cataract]]
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[[Category: cytoplasm]]
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[[Category: idd594]]
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[[Category: nadp]]
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[[Category: oxidoreductase]]
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[[Category: polymorphism]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Mar 31 04:54:37 2008''
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Current revision

Perdeuterated alr2 in complex with idd594

PDB ID 2qxw

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