1eko

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[[Image:1eko.jpg|left|200px]]<br /><applet load="1eko" size="350" color="white" frame="true" align="right" spinBox="true"
 
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caption="1eko, resolution 2.2&Aring;" />
 
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'''PIG ALDOSE REDUCTASE COMPLEXED WITH IDD384 INHIBITOR'''<br />
 
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==Overview==
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==PIG ALDOSE REDUCTASE COMPLEXED WITH IDD384 INHIBITOR==
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The crystallographic structure of the complex between human aldose reductase (AR2) and one of its inhibitors, IDD384, has been solved at 1.7 A resolution from crystals obtained at pH 5.0. This structure shows that the binding of the inhibitor's hydrophilic head to the catalytic residues Tyr48 and His110 differs from that found previously with porcine AR2. The difference is attributed to a change in the protonation state of the inhibitor (pK(a) = 4.52) when soaked with crystals of human (at pH 5.0) or pig lens AR2 (at pH 6.2). This work demonstrates how strongly the detailed binding of the inhibitor's polar head depends on its protonation state.
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<StructureSection load='1eko' size='340' side='right'caption='[[1eko]], [[Resolution|resolution]] 2.20&Aring;' scene=''>
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== Structural highlights ==
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<table><tr><td colspan='2'>[[1eko]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Sus_scrofa Sus scrofa]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1EKO OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1EKO FirstGlance]. <br>
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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]] 2.2&#8491;</td></tr>
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<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=AYA:N-ACETYLALANINE'>AYA</scene>, <scene name='pdbligand=I84:[2,6-DIMETHYL-4-(2-O-TOLYL-ACETYLAMINO)-BENZENESULFONYL]-GLYCINE'>I84</scene>, <scene name='pdbligand=NAP:NADP+NICOTINAMIDE-ADENINE-DINUCLEOTIDE+PHOSPHATE'>NAP</scene></td></tr>
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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=1eko FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1eko OCA], [https://pdbe.org/1eko PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1eko RCSB], [https://www.ebi.ac.uk/pdbsum/1eko PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1eko ProSAT]</span></td></tr>
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</table>
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== Function ==
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[https://www.uniprot.org/uniprot/ALDR_PIG ALDR_PIG] 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/ek/1eko_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=1eko ConSurf].
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<div style="clear:both"></div>
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==About this Structure==
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==See Also==
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1EKO is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Sus_scrofa Sus scrofa] with <scene name='pdbligand=NAP:'>NAP</scene> and <scene name='pdbligand=I84:'>I84</scene> as [http://en.wikipedia.org/wiki/ligands ligands]. Active as [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] Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1EKO OCA].
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*[[Aldose reductase 3D structures|Aldose reductase 3D structures]]
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__TOC__
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==Reference==
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</StructureSection>
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The structure of human aldose reductase bound to the inhibitor IDD384., Calderone V, Chevrier B, Van Zandt M, Lamour V, Howard E, Poterszman A, Barth P, Mitschler A, Lu J, Dvornik DM, Klebe G, Kraemer O, Moorman AR, Moras D, Podjarny A, Acta Crystallogr D Biol Crystallogr. 2000 May;56(Pt 5):536-40. PMID:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=10771421 10771421]
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[[Category: Large Structures]]
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[[Category: Aldehyde reductase]]
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[[Category: Single protein]]
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[[Category: Sus scrofa]]
[[Category: Sus scrofa]]
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[[Category: Podjarny, A.]]
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[[Category: Podjarny A]]
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[[Category: I84]]
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[[Category: NAP]]
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[[Category: aldose reductase]]
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[[Category: diabetes]]
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[[Category: inhibition]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Feb 21 12:28:44 2008''
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Current revision

PIG ALDOSE REDUCTASE COMPLEXED WITH IDD384 INHIBITOR

PDB ID 1eko

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