1p1h

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[[Image:1p1h.jpg|left|200px]]<br /><applet load="1p1h" size="350" color="white" frame="true" align="right" spinBox="true"
 
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caption="1p1h, resolution 1.95&Aring;" />
 
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'''Crystal structure of the 1L-myo-inositol/NAD+ complex'''<br />
 
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==Overview==
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==Crystal structure of the 1L-myo-inositol/NAD+ complex==
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1-l-myo-Inositol 1-phosphate synthase catalyzes the conversion of d-glucose 6-phosphate to 1-l-myo-inositol 1-phosphate, the first and rate-limiting step in the biosynthesis of all inositol-containing compounds. It involves an oxidation, an intramolecular aldol cyclization and a reduction. Here, the structure of the enzyme in its NAD(+)-bound, NADH-bound and apo forms is presented. These structures confirm that a significant portion of the active site is disordered in the absence of a small molecule, as none of the NAD(+)-bound forms of the enzyme have ordered active sites. On the other hand, the NADH-bound form contains two small molecules in the active site: a phosphate and glycerol. The entire active site is ordered in the presence of these two molecules, completely encapsulating them within the interior cavity. Significant changes in the structure of the active site are also seen, including repositioning of the nicotinamide ring and a motion of a loop region to accommodate the bound phosphate. These changes call into question the mechanism previously proposed for the enzyme. A comparison of the yeast and mycobacterial enzymes shows a surprisingly large change in the relative orientation of the catalytic and Rossmann-fold domains in the two enzymes.
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<StructureSection load='1p1h' size='340' side='right'caption='[[1p1h]], [[Resolution|resolution]] 1.95&Aring;' scene=''>
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== Structural highlights ==
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==About this Structure==
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<table><tr><td colspan='2'>[[1p1h]] is a 4 chain structure with sequence from [https://en.wikipedia.org/wiki/Saccharomyces_cerevisiae Saccharomyces cerevisiae]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1P1H OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1P1H FirstGlance]. <br>
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1P1H is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Saccharomyces_cerevisiae Saccharomyces cerevisiae] with <scene name='pdbligand=NAD:'>NAD</scene> as [http://en.wikipedia.org/wiki/ligand ligand]. Active as [http://en.wikipedia.org/wiki/Inositol-3-phosphate_synthase Inositol-3-phosphate synthase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=5.5.1.4 5.5.1.4] Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1P1H OCA].
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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]] 1.95&#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=NAD:NICOTINAMIDE-ADENINE-DINUCLEOTIDE'>NAD</scene></td></tr>
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==Reference==
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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=1p1h FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1p1h OCA], [https://pdbe.org/1p1h PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1p1h RCSB], [https://www.ebi.ac.uk/pdbsum/1p1h PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1p1h ProSAT]</span></td></tr>
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Structures of NAD(+)- and NADH-bound 1-l-myo-inositol 1-phosphate synthase., Jin X, Geiger JH, Acta Crystallogr D Biol Crystallogr. 2003 Jul;59(Pt 7):1154-64. Epub 2003, Jun 27. PMID:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=12832758 12832758]
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</table>
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[[Category: Inositol-3-phosphate synthase]]
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== Function ==
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[https://www.uniprot.org/uniprot/INO1_YEAST INO1_YEAST]
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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/p1/1p1h_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=1p1h ConSurf].
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<div style="clear:both"></div>
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__TOC__
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</StructureSection>
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[[Category: Large Structures]]
[[Category: Saccharomyces cerevisiae]]
[[Category: Saccharomyces cerevisiae]]
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[[Category: Single protein]]
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[[Category: Geiger JH]]
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[[Category: Geiger, J H.]]
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[[Category: Jin X]]
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[[Category: Jin, X.]]
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[[Category: NAD]]
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[[Category: 1l-myo-inositol 1-phosphate]]
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[[Category: nad+]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Feb 21 14:24:03 2008''
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Current revision

Crystal structure of the 1L-myo-inositol/NAD+ complex

PDB ID 1p1h

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