1p77

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(New page: 200px<br /><applet load="1p77" size="450" color="white" frame="true" align="right" spinBox="true" caption="1p77, resolution 1.95&Aring;" /> '''CRYSTAL STRUCTURE OF...)
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[[Image:1p77.jpg|left|200px]]<br /><applet load="1p77" size="450" color="white" frame="true" align="right" spinBox="true"
 
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caption="1p77, resolution 1.95&Aring;" />
 
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'''CRYSTAL STRUCTURE OF SHIKIMATE DEHYDROGENASE (AROE) FROM HAEMOPHILUS INFLUENZAE'''<br />
 
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==Overview==
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==CRYSTAL STRUCTURE OF SHIKIMATE DEHYDROGENASE (AROE) FROM HAEMOPHILUS INFLUENZAE==
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Shikimate dehydrogenase catalyzes the NADPH-dependent reversible reduction, of 3-dehydroshikimate to shikimate. We report the first X-ray structure of, shikimate dehydrogenase from Haemophilus influenzae to 2.4-A resolution, and its complex with NADPH to 1.95-A resolution. The molecule contains two, domains, a catalytic domain with a novel open twisted alpha/beta motif and, an NADPH binding domain with a typical Rossmann fold. The enzyme contains, a unique glycine-rich P-loop with a conserved sequence motif, GAGGXX, that, results in NADPH adopting a nonstandard binding mode with the nicotinamide, and ribose moieties disordered in the binary complex. A deep pocket with a, narrow entrance between the two domains, containing strictly conserved, residues primarily contributed by the catalytic domain, is identified as a, potential 3-dehydroshikimate binding pocket. The flexibility of the, nicotinamide mononucleotide portion of NADPH may be necessary for the, substrate 3-dehydroshikimate to enter the pocket and for the release of, the product shikimate.
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<StructureSection load='1p77' size='340' side='right'caption='[[1p77]], [[Resolution|resolution]] 1.95&Aring;' scene=''>
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== Structural highlights ==
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<table><tr><td colspan='2'>[[1p77]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Haemophilus_influenzae Haemophilus influenzae]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1P77 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1P77 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]] 1.95&#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=ACT:ACETATE+ION'>ACT</scene>, <scene name='pdbligand=ATR:2-MONOPHOSPHOADENOSINE-5-DIPHOSPHATE'>ATR</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=1p77 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1p77 OCA], [https://pdbe.org/1p77 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1p77 RCSB], [https://www.ebi.ac.uk/pdbsum/1p77 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1p77 ProSAT]</span></td></tr>
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</table>
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== Function ==
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[https://www.uniprot.org/uniprot/AROE_HAEIN AROE_HAEIN]
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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/p7/1p77_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=1p77 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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Shikimate dehydrogenase catalyzes the NADPH-dependent reversible reduction of 3-dehydroshikimate to shikimate. We report the first X-ray structure of shikimate dehydrogenase from Haemophilus influenzae to 2.4-A resolution and its complex with NADPH to 1.95-A resolution. The molecule contains two domains, a catalytic domain with a novel open twisted alpha/beta motif and an NADPH binding domain with a typical Rossmann fold. The enzyme contains a unique glycine-rich P-loop with a conserved sequence motif, GAGGXX, that results in NADPH adopting a nonstandard binding mode with the nicotinamide and ribose moieties disordered in the binary complex. A deep pocket with a narrow entrance between the two domains, containing strictly conserved residues primarily contributed by the catalytic domain, is identified as a potential 3-dehydroshikimate binding pocket. The flexibility of the nicotinamide mononucleotide portion of NADPH may be necessary for the substrate 3-dehydroshikimate to enter the pocket and for the release of the product shikimate.
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==About this Structure==
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The crystal structure of shikimate dehydrogenase (AroE) reveals a unique NADPH binding mode.,Ye S, Von Delft F, Brooun A, Knuth MW, Swanson RV, McRee DE J Bacteriol. 2003 Jul;185(14):4144-51. PMID:12837789<ref>PMID:12837789</ref>
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1P77 is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Haemophilus_influenzae Haemophilus influenzae] with ACT and ATR as [http://en.wikipedia.org/wiki/ligands ligands]. Active as [http://en.wikipedia.org/wiki/Shikimate_dehydrogenase Shikimate dehydrogenase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.1.1.25 1.1.1.25] Full crystallographic information is available from [http://ispc.weizmann.ac.il/oca-bin/ocashort?id=1P77 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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The crystal structure of shikimate dehydrogenase (AroE) reveals a unique NADPH binding mode., Ye S, Von Delft F, Brooun A, Knuth MW, Swanson RV, McRee DE, J Bacteriol. 2003 Jul;185(14):4144-51. PMID:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=12837789 12837789]
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</div>
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[[Category: Haemophilus influenzae]]
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<div class="pdbe-citations 1p77" style="background-color:#fffaf0;"></div>
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[[Category: Shikimate dehydrogenase]]
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[[Category: Single protein]]
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[[Category: Brooun, A.]]
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[[Category: Delft, F.von.]]
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[[Category: Knuth, M.W.]]
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[[Category: McRee, D.E.]]
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[[Category: Swanson, R.V.]]
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[[Category: Ye, S.]]
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[[Category: ACT]]
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[[Category: ATR]]
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[[Category: haemophilus influenzae]]
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[[Category: nadph]]
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[[Category: shikimate dehydrogenase]]
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''Page seeded by [http://ispc.weizmann.ac.il/oca OCA ] on Tue Nov 20 23:32:34 2007''
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==See Also==
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*[[Shikimate dehydrogenase 3D structures|Shikimate 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: Haemophilus influenzae]]
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[[Category: Large Structures]]
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[[Category: Brooun A]]
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[[Category: Knuth MW]]
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[[Category: McRee DE]]
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[[Category: Swanson RV]]
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[[Category: Ye S]]
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[[Category: Von Delft F]]

Current revision

CRYSTAL STRUCTURE OF SHIKIMATE DEHYDROGENASE (AROE) FROM HAEMOPHILUS INFLUENZAE

PDB ID 1p77

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