1yon

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[[Image:1yon.gif|left|200px]]
 
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==Escherichia coli ketopantoate reductase in complex with 2-monophosphoadenosine-5'-diphosphate==
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The line below this paragraph, containing "STRUCTURE_1yon", creates the "Structure Box" on the page.
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<StructureSection load='1yon' size='340' side='right'caption='[[1yon]], [[Resolution|resolution]] 1.95&Aring;' scene=''>
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You may change the PDB parameter (which sets the PDB file loaded into the applet)
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== Structural highlights ==
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or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
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<table><tr><td colspan='2'>[[1yon]] 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=1YON OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1YON FirstGlance]. <br>
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or leave the SCENE parameter empty for the default display.
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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=A2R:[(2R,3R,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3-HYDROXY-4-(PHOSPHONOOXY)TETRAHYDROFURAN-2-YL]METHYL+[(2R,3S,4R,5R)-3,4,5-TRIHYDROXYTETRAHYDROFURAN-2-YL]METHYL+DIHYDROGEN+DIPHOSPHATE'>A2R</scene></td></tr>
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{{STRUCTURE_1yon| PDB=1yon | SCENE= }}
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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=1yon FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1yon OCA], [https://pdbe.org/1yon PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1yon RCSB], [https://www.ebi.ac.uk/pdbsum/1yon PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1yon ProSAT]</span></td></tr>
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</table>
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'''Escherichia coli ketopantoate reductase in complex with 2-monophosphoadenosine-5'-diphosphate'''
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== Function ==
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[https://www.uniprot.org/uniprot/PANE_ECOLI PANE_ECOLI] Catalyzes the NADPH-dependent reduction of ketopantoate into pantoic acid.
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== Evolutionary Conservation ==
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==Overview==
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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/yo/1yon_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=1yon 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 ==
The crystal structure of Escherichia coli ketopantoate reductase in complex with 2'-monophosphoadenosine 5'-diphosphoribose, a fragment of NADP+ that lacks the nicotinamide ring, is reported. The ligand is bound at the enzyme active site in the opposite orientation to that observed for NADP+, with the adenine ring occupying the lipophilic nicotinamide pocket. Isothermal titration calorimetry with R31A and N98A mutants of the enzyme is used to show that the unusual ;reversed binding mode' observed in the crystal is triggered by changes in the protonation of binding groups at low pH. This research has important implications for fragment-based approaches to drug design, namely that the crystallization conditions and the chemical modification of ligands can have unexpected effects on the binding modes.
The crystal structure of Escherichia coli ketopantoate reductase in complex with 2'-monophosphoadenosine 5'-diphosphoribose, a fragment of NADP+ that lacks the nicotinamide ring, is reported. The ligand is bound at the enzyme active site in the opposite orientation to that observed for NADP+, with the adenine ring occupying the lipophilic nicotinamide pocket. Isothermal titration calorimetry with R31A and N98A mutants of the enzyme is used to show that the unusual ;reversed binding mode' observed in the crystal is triggered by changes in the protonation of binding groups at low pH. This research has important implications for fragment-based approaches to drug design, namely that the crystallization conditions and the chemical modification of ligands can have unexpected effects on the binding modes.
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==About this Structure==
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pH-tuneable binding of 2'-phospho-ADP-ribose to ketopantoate reductase: a structural and calorimetric study.,Ciulli A, Lobley CM, Tuck KL, Smith AG, Blundell TL, Abell C Acta Crystallogr D Biol Crystallogr. 2007 Feb;63(Pt 2):171-8. Epub 2007, Jan 16. PMID:17242510<ref>PMID:17242510</ref>
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1YON is a [[Single protein]] structure of sequence from [http://en.wikipedia.org/wiki/Escherichia_coli Escherichia coli]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1YON 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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pH-tuneable binding of 2'-phospho-ADP-ribose to ketopantoate reductase: a structural and calorimetric study., Ciulli A, Lobley CM, Tuck KL, Smith AG, Blundell TL, Abell C, Acta Crystallogr D Biol Crystallogr. 2007 Feb;63(Pt 2):171-8. Epub 2007, Jan 16. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/17242510 17242510]
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</div>
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[[Category: 2-dehydropantoate 2-reductase]]
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<div class="pdbe-citations 1yon" style="background-color:#fffaf0;"></div>
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== References ==
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<references/>
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__TOC__
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</StructureSection>
[[Category: Escherichia coli]]
[[Category: Escherichia coli]]
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[[Category: Single protein]]
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[[Category: Large Structures]]
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[[Category: Abell, C.]]
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[[Category: Abell C]]
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[[Category: Blundell, T L.]]
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[[Category: Blundell TL]]
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[[Category: Ciulli, A.]]
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[[Category: Ciulli A]]
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[[Category: Lobley, C M.C.]]
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[[Category: Lobley CMC]]
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[[Category: Smith, A G.]]
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[[Category: Smith AG]]
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[[Category: Tuck, K L.]]
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[[Category: Tuck KL]]
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[[Category: Williams, G.]]
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[[Category: Williams G]]
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[[Category: 2'-monophosphoadenosine-5'-diphosphate]]
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[[Category: Ketopantoate]]
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[[Category: Nadp+ dependent]]
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[[Category: Pantothenate pathway]]
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[[Category: Secondary alcohol dehydrogenase]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sat May 3 16:35:19 2008''
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Current revision

Escherichia coli ketopantoate reductase in complex with 2-monophosphoadenosine-5'-diphosphate

PDB ID 1yon

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