1hj6

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[[Image:1hj6.gif|left|200px]]<br />
 
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<applet load="1hj6" size="450" color="white" frame="true" align="right" spinBox="true"
 
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caption="1hj6, resolution 2.0&Aring;" />
 
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'''ISOCITRATE DEHYDROGENASE S113E MUTANT COMPLEXED WITH ISOPROPYLMALATE, NADP+ AND MAGNESIUM (FLASH-COOLED)'''<br />
 
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==Overview==
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==ISOCITRATE DEHYDROGENASE S113E MUTANT COMPLEXED WITH ISOPROPYLMALATE, NADP+ AND MAGNESIUM (FLASH-COOLED)==
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Isocitrate dehydrogenase (IDH) catalyzes the oxidative decarboxylation of, isocitrate and has negligible activity toward other (R)-malate-type, substrates. The S113E mutant of IDH significantly improves its ability to, utilize isopropylmalate as a substrate and switches the substrate, specificity (k(cat)/K(M)) from isocitrate to isopropylmalate. To, understand the structural basis for this switch in substrate specificity, we have determined the crystal structure of IDH S113E in a complex with, isopropylmalate, NADP, and Mg(2+) to 2.0 A resolution. On the basis of a, comparison with previously determined structures, we identify distinct, changes caused by the amino acid substitution and by the binding of, substrates. The S113E complex exhibits alterations in global and active, site ... [[http://ispc.weizmann.ac.il/pmbin/getpm?11284679 (full description)]]
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<StructureSection load='1hj6' size='340' side='right'caption='[[1hj6]], [[Resolution|resolution]] 2.00&Aring;' scene=''>
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== Structural highlights ==
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<table><tr><td colspan='2'>[[1hj6]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Escherichia_coli Escherichia coli]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1HJ6 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1HJ6 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&#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=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=IPM:3-ISOPROPYLMALIC+ACID'>IPM</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</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=1hj6 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1hj6 OCA], [https://pdbe.org/1hj6 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1hj6 RCSB], [https://www.ebi.ac.uk/pdbsum/1hj6 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1hj6 ProSAT]</span></td></tr>
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</table>
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== Function ==
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[https://www.uniprot.org/uniprot/IDH_ECOLI IDH_ECOLI]
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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/hj/1hj6_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=1hj6 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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1HJ6 is a [[http://en.wikipedia.org/wiki/Single_protein Single protein]] structure of sequence from [[http://en.wikipedia.org/wiki/Escherichia_coli Escherichia coli]] with MG, IPM, NAP and GOL as [[http://en.wikipedia.org/wiki/ligands ligands]]. Active as [[http://en.wikipedia.org/wiki/Isocitrate_dehydrogenase_(NADP(+)) Isocitrate dehydrogenase (NADP(+))]], with EC number [[http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.1.1.42 1.1.1.42]]. Structure known Active Sites: IPM, MG and NAP. Full crystallographic information is available from [[http://ispc.weizmann.ac.il/oca-bin/ocashort?id=1HJ6 OCA]].
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*[[Isocitrate dehydrogenase 3D structures|Isocitrate dehydrogenase 3D structures]]
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__TOC__
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==Reference==
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</StructureSection>
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Structural basis for a change in substrate specificity: crystal structure of S113E isocitrate dehydrogenase in a complex with isopropylmalate, Mg2+, and NADP., Doyle SA, Beernink PT, Koshland DE Jr, Biochemistry. 2001 Apr 10;40(14):4234-41. PMID:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=11284679 11284679]
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[[Category: Escherichia coli]]
[[Category: Escherichia coli]]
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[[Category: Isocitrate dehydrogenase (NADP(+))]]
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[[Category: Large Structures]]
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[[Category: Single protein]]
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[[Category: Beernink PT]]
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[[Category: Beernink, P.T.]]
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[[Category: Doyle SA]]
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[[Category: Doyle, S.A.]]
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[[Category: Koshland Junior DE]]
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[[Category: Junior, D.E.Koshland.]]
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[[Category: GOL]]
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[[Category: IPM]]
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[[Category: MG]]
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[[Category: NAP]]
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[[Category: glyoxylate bypass]]
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[[Category: nadp]]
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[[Category: oxidoreductase]]
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[[Category: oxidoreductase (nad(a)-choh(d))]]
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[[Category: phosphorylation]]
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''Page seeded by [http://ispc.weizmann.ac.il/oca OCA ] on Tue Oct 30 12:34:46 2007''
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Current revision

ISOCITRATE DEHYDROGENASE S113E MUTANT COMPLEXED WITH ISOPROPYLMALATE, NADP+ AND MAGNESIUM (FLASH-COOLED)

PDB ID 1hj6

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