1k3c

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(New page: 200px<br /><applet load="1k3c" size="450" color="white" frame="true" align="right" spinBox="true" caption="1k3c, resolution 2.0&Aring;" /> '''Phosphoenolpyruvate c...)
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[[Image:1k3c.jpg|left|200px]]<br /><applet load="1k3c" size="450" color="white" frame="true" align="right" spinBox="true"
 
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caption="1k3c, resolution 2.0&Aring;" />
 
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'''Phosphoenolpyruvate carboxykinase in complex with ADP, AlF3 and Pyruvate'''<br />
 
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==Overview==
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==Phosphoenolpyruvate carboxykinase in complex with ADP, AlF3 and Pyruvate==
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The mechanism of reversible transfer of the gamma-phosphate group of ATP, by Escherichia coli phosphoenolpyruvate carboxykinase (PCK) on to its, substrate is of great interest. It is known that metallofluorides are, accurate analogs of the transition state in the context of kinase, mechanisms. Therefore, two complexes of PCK, one with AlF(3), Mg(2+) and, ADP (complex I), the other with AlF(3), Mg(2+), ADP and pyruvate (complex, II) were crystallized. The X-ray crystal structures of these two complexes, were determined at 2.0 A resolution. The Al atom has trigonal bipyramidal, geometry that mimics the transition state of phosphoryl transfer. The Al, atom is at a distance of 2.8 A and 2.9 A from an oxygen atom of the, beta-phosphoryl group of ADP in complex I and II, respectively. A water, molecule in complex I and an oxygen atom of the pyruvate in complex II are, located along the axis of the trigonal bipyramid on the side opposite to, the beta-phosphoryl oxygen with respect to the equatorial plane, suggesting that the complexes are close mimics of the transition state., Along with the presence of positively charged species around the AlF(3), moiety, these results indicate that phosphoryl transfer occurs via a, direct displacement mechanism with associative qualities.
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<StructureSection load='1k3c' size='340' side='right'caption='[[1k3c]], [[Resolution|resolution]] 2.00&Aring;' scene=''>
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== Structural highlights ==
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<table><tr><td colspan='2'>[[1k3c]] 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=1K3C OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1K3C 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=ADP:ADENOSINE-5-DIPHOSPHATE'>ADP</scene>, <scene name='pdbligand=AF3:ALUMINUM+FLUORIDE'>AF3</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene>, <scene name='pdbligand=PYR:PYRUVIC+ACID'>PYR</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=1k3c FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1k3c OCA], [https://pdbe.org/1k3c PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1k3c RCSB], [https://www.ebi.ac.uk/pdbsum/1k3c PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1k3c ProSAT]</span></td></tr>
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</table>
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== Function ==
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[https://www.uniprot.org/uniprot/PCKA_ECOLI PCKA_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/k3/1k3c_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=1k3c 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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The mechanism of reversible transfer of the gamma-phosphate group of ATP by Escherichia coli phosphoenolpyruvate carboxykinase (PCK) on to its substrate is of great interest. It is known that metallofluorides are accurate analogs of the transition state in the context of kinase mechanisms. Therefore, two complexes of PCK, one with AlF(3), Mg(2+) and ADP (complex I), the other with AlF(3), Mg(2+), ADP and pyruvate (complex II) were crystallized. The X-ray crystal structures of these two complexes were determined at 2.0 A resolution. The Al atom has trigonal bipyramidal geometry that mimics the transition state of phosphoryl transfer. The Al atom is at a distance of 2.8 A and 2.9 A from an oxygen atom of the beta-phosphoryl group of ADP in complex I and II, respectively. A water molecule in complex I and an oxygen atom of the pyruvate in complex II are located along the axis of the trigonal bipyramid on the side opposite to the beta-phosphoryl oxygen with respect to the equatorial plane, suggesting that the complexes are close mimics of the transition state. Along with the presence of positively charged species around the AlF(3) moiety, these results indicate that phosphoryl transfer occurs via a direct displacement mechanism with associative qualities.
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==About this Structure==
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The phosphoryl-transfer mechanism of Escherichia coli phosphoenolpyruvate carboxykinase from the use of AlF(3).,Sudom AM, Prasad L, Goldie H, Delbaere LT J Mol Biol. 2001 Nov 16;314(1):83-92. PMID:11724534<ref>PMID:11724534</ref>
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1K3C 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, ADP, AF3 and PYR as [http://en.wikipedia.org/wiki/ligands ligands]. Active as [http://en.wikipedia.org/wiki/Phosphoenolpyruvate_carboxykinase_(ATP) Phosphoenolpyruvate carboxykinase (ATP)], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=4.1.1.49 4.1.1.49] Full crystallographic information is available from [http://ispc.weizmann.ac.il/oca-bin/ocashort?id=1K3C 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 phosphoryl-transfer mechanism of Escherichia coli phosphoenolpyruvate carboxykinase from the use of AlF(3)., Sudom AM, Prasad L, Goldie H, Delbaere LT, J Mol Biol. 2001 Nov 16;314(1):83-92. PMID:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=11724534 11724534]
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</div>
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[[Category: Escherichia coli]]
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<div class="pdbe-citations 1k3c" style="background-color:#fffaf0;"></div>
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[[Category: Phosphoenolpyruvate carboxykinase (ATP)]]
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[[Category: Single protein]]
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[[Category: Delbaere, L.T.J.]]
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[[Category: Goldie, H.]]
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[[Category: Prasad, L.]]
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[[Category: Sudom, A.M.]]
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[[Category: ADP]]
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[[Category: AF3]]
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[[Category: MG]]
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[[Category: PYR]]
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[[Category: gluconeogenesis]]
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[[Category: kinase]]
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[[Category: nucleotide-triphosphate hydrolase]]
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[[Category: p-loop]]
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''Page seeded by [http://ispc.weizmann.ac.il/oca OCA ] on Tue Nov 20 18:49:04 2007''
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==See Also==
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*[[Phosphoenolpyruvate carboxykinase 3D structures|Phosphoenolpyruvate carboxykinase 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: Escherichia coli]]
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[[Category: Large Structures]]
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[[Category: Delbaere LTJ]]
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[[Category: Goldie H]]
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[[Category: Prasad L]]
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[[Category: Sudom AM]]

Current revision

Phosphoenolpyruvate carboxykinase in complex with ADP, AlF3 and Pyruvate

PDB ID 1k3c

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