1heu

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[[Image:1heu.gif|left|200px]]<br />
 
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<applet load="1heu" size="450" color="white" frame="true" align="right" spinBox="true"
 
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caption="1heu, resolution 1.15&Aring;" />
 
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'''ATOMIC X-RAY STRUCTURE OF LIVER ALCOHOL DEHYDROGENASE CONTAINING CADMIUM AND A HYDROXIDE ADDUCT TO NADH'''<br />
 
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==Overview==
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==ATOMIC X-RAY STRUCTURE OF LIVER ALCOHOL DEHYDROGENASE CONTAINING Cadmium and a hydroxide adduct to NADH==
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Atomic (1 A) resolution x-ray structures of horse liver alcohol, dehydrogenase in complex with NADH revealed the formation of an adduct in, the active site between a metal-bound water and NADH. Furthermore, a, pronounced distortion of the pyridine ring of NADH was observed. A series, of quantum chemical calculations on the water-nicotinamide adduct showed, that the puckering of the pyridine ring in the crystal structures can only, be reproduced when the water is considered a hydroxide ion. These, observations provide fundamental insight into the enzymatic activation of, NADH for hydride transfer.
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<StructureSection load='1heu' size='340' side='right'caption='[[1heu]], [[Resolution|resolution]] 1.15&Aring;' scene=''>
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== Structural highlights ==
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<table><tr><td colspan='2'>[[1heu]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Equus_caballus Equus caballus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1HEU OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1HEU 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]] 1.15&#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=CD:CADMIUM+ION'>CD</scene>, <scene name='pdbligand=MRD:(4R)-2-METHYLPENTANE-2,4-DIOL'>MRD</scene>, <scene name='pdbligand=NAD:NICOTINAMIDE-ADENINE-DINUCLEOTIDE'>NAD</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=1heu FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1heu OCA], [https://pdbe.org/1heu PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1heu RCSB], [https://www.ebi.ac.uk/pdbsum/1heu PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1heu ProSAT]</span></td></tr>
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</table>
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== Function ==
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[https://www.uniprot.org/uniprot/ADH1E_HORSE ADH1E_HORSE]
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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/he/1heu_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=1heu 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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Atomic (1 A) resolution x-ray structures of horse liver alcohol dehydrogenase in complex with NADH revealed the formation of an adduct in the active site between a metal-bound water and NADH. Furthermore, a pronounced distortion of the pyridine ring of NADH was observed. A series of quantum chemical calculations on the water-nicotinamide adduct showed that the puckering of the pyridine ring in the crystal structures can only be reproduced when the water is considered a hydroxide ion. These observations provide fundamental insight into the enzymatic activation of NADH for hydride transfer.
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==About this Structure==
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On the enzymatic activation of NADH.,Meijers R, Morris RJ, Adolph HW, Merli A, Lamzin VS, Cedergren-Zeppezauer ES J Biol Chem. 2001 Mar 23;276(12):9316-21. Epub 2000 Dec 28. PMID:11134046<ref>PMID:11134046</ref>
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1HEU is a [[http://en.wikipedia.org/wiki/Single_protein Single protein]] structure of sequence from [[http://en.wikipedia.org/wiki/Equus_caballus Equus caballus]] with CD, NAD and MRD as [[http://en.wikipedia.org/wiki/ligands ligands]]. Active as [[http://en.wikipedia.org/wiki/Alcohol_dehydrogenase Alcohol dehydrogenase]], with EC number [[http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.1.1.1 1.1.1.1]]. Structure known Active Sites: AC1, AC2, AC3, AC4, AC5 and AC6. Full crystallographic information is available from [[http://ispc.weizmann.ac.il/oca-bin/ocashort?id=1HEU OCA]].
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==Reference==
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From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
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On the enzymatic activation of NADH., Meijers R, Morris RJ, Adolph HW, Merli A, Lamzin VS, Cedergren-Zeppezauer ES, J Biol Chem. 2001 Mar 23;276(12):9316-21. Epub 2000 Dec 28. PMID:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=11134046 11134046]
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</div>
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[[Category: Alcohol dehydrogenase]]
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<div class="pdbe-citations 1heu" style="background-color:#fffaf0;"></div>
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[[Category: Equus caballus]]
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[[Category: Single protein]]
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[[Category: Adolph, H.W.]]
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[[Category: Cedergen-Zeppezauer, E.S.]]
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[[Category: Lamzin, V.S.]]
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[[Category: Meijers, R.]]
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[[Category: Merli, A.]]
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[[Category: Morris, R.J.]]
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[[Category: CD]]
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[[Category: MRD]]
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[[Category: NAD]]
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[[Category: oxidoreductase(nad(a)-choh(d))]]
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''Page seeded by [http://ispc.weizmann.ac.il/oca OCA ] on Tue Oct 30 13:47:26 2007''
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==See Also==
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*[[Alcohol dehydrogenase 3D structures|Alcohol dehydrogenase 3D structures]]
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== References ==
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<references/>
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__TOC__
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</StructureSection>
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[[Category: Equus caballus]]
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[[Category: Large Structures]]
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[[Category: Adolph HW]]
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[[Category: Cedergen-Zeppezauer ES]]
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[[Category: Lamzin VS]]
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[[Category: Meijers R]]
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[[Category: Merli A]]
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[[Category: Morris RJ]]

Current revision

ATOMIC X-RAY STRUCTURE OF LIVER ALCOHOL DEHYDROGENASE CONTAINING Cadmium and a hydroxide adduct to NADH

PDB ID 1heu

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