1het: Difference between revisions

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-[[Image:1het.gif|left|200px]]<br />
-<applet load="1het" size="450" color="white" frame="true" align="right" spinBox="true"
-caption="1het, resolution 1.15&Aring;" />
-'''ATOMIC X-RAY STRUCTURE OF LIVER ALCOHOL DEHYDROGENASE CONTAINING A HYDROXIDE ADDUCT TO NADH'''<br />
-==Overview==
+==atomic X-ray structure of liver alcohol dehydrogenase containing a hydroxide adduct to NADH==
-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.
+<StructureSection load='1het' size='340' side='right'caption='[[1het]], [[Resolution|resolution]] 1.15&Aring;' scene=''>
+== Structural highlights ==
+<table><tr><td colspan='2'>[[1het]] 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=1HET OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1HET FirstGlance]. <br>
+</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>
+<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=MRD:(4R)-2-METHYLPENTANE-2,4-DIOL'>MRD</scene>, <scene name='pdbligand=NAD:NICOTINAMIDE-ADENINE-DINUCLEOTIDE'>NAD</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</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=1het FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1het OCA], [https://pdbe.org/1het PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1het RCSB], [https://www.ebi.ac.uk/pdbsum/1het PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1het ProSAT]</span></td></tr>
+</table>
+== Function ==
+[https://www.uniprot.org/uniprot/ADH1E_HORSE ADH1E_HORSE]
+== 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/he/1het_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/main_output.php?pdb_ID=1het ConSurf].
+<div style="clear:both"></div>
+<div style="background-color:#fffaf0;">
+== Publication Abstract from PubMed ==
+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.
-==About this Structure==
+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>
-HET 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 ZN, 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: AC3, AC4, NAA, NAB, OHA and OHB. Full crystallographic information is available from [http://ispc.weizmann.ac.il/oca-bin/ocashort?id=1HET OCA].
-==Reference==
+From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
-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]
+</div>
-[[Category: Alcohol dehydrogenase]]
+<div class="pdbe-citations 1het" style="background-color:#fffaf0;"></div>
+==See Also==
+*[[Alcohol dehydrogenase 3D structures|Alcohol dehydrogenase 3D structures]]
+== References ==
+<references/>
+__TOC__
+</StructureSection>
 [[Category: Equus caballus]]
-[[Category: Single protein]]
+[[Category: Large Structures]]
-[[Category: Adolph, H.W.]]
+[[Category: Adolph HW]]
-[[Category: Cedergen-Zeppezauer, E.S.]]
+[[Category: Cedergen-Zeppezauer ES]]
-[[Category: Lamzin, V.S.]]
+[[Category: Lamzin VS]]
-[[Category: Meijers, R.]]
+[[Category: Meijers R]]
-[[Category: Merli, A.]]
+[[Category: Merli A]]
-[[Category: Morris, R.J.]]
+[[Category: Morris RJ]]
-[[Category: MRD]]
-[[Category: NAD]]
-[[Category: ZN]]
-[[Category: oxidoreductase(nad(a)-choh(d))]]
-''Page seeded by [http://ispc.weizmann.ac.il/oca OCA ] on Mon Nov  5 14:58:33 2007''