1xkv

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(New page: 200px<br /><applet load="1xkv" size="450" color="white" frame="true" align="right" spinBox="true" caption="1xkv, resolution 2.2&Aring;" /> '''Crystal Structure Of ...)
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[[Image:1xkv.gif|left|200px]]<br /><applet load="1xkv" size="450" color="white" frame="true" align="right" spinBox="true"
 
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caption="1xkv, resolution 2.2&Aring;" />
 
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'''Crystal Structure Of ATP-Dependent Phosphoenolpyruvate Carboxykinase From Thermus thermophilus HB8'''<br />
 
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==Overview==
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==Crystal Structure Of ATP-Dependent Phosphoenolpyruvate Carboxykinase From Thermus thermophilus HB8==
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In order to understand the induced fit and the thermostabilization, mechanisms of ATP-dependent phosphoenolpyruvate carboxykinase, the crystal, structure of the enzyme from the extreme thermophile Thermus thermophilus, HB8 (TtPEPCK) was determined and compared with those of orthologues of, known structure from two mesophilic organisms. The protomer structures in, these orthologues, which exhibit open/closed interdomain conformations, are similar. Isomorphous crystals of unliganded and ATP-bound TtPEPCK were, obtained. The asymmetric units of both crystal forms contain two protomers, A and B with closed and open conformations, respectively. ATP was only, observed in the interdomain cleft of the closed protomer, suggesting that, the induced fit of TtPEPCK agrees with the so-called ;conformational, selection' mechanism where ligand binding is not essential for domain, closure although its binding leads to the stabilization of the closed, state. A bound calcium observed in the N-terminal domain of TtPEPCK, probably contributes to the thermal stability. A combination of, hydrophobic effects, ion pairs and entropic effects might also contribute, to the thermostability of TtPEPCK.
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<StructureSection load='1xkv' size='340' side='right'caption='[[1xkv]], [[Resolution|resolution]] 2.20&Aring;' scene=''>
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== Structural highlights ==
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<table><tr><td colspan='2'>[[1xkv]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Thermus_thermophilus_HB8 Thermus thermophilus HB8]. This structure supersedes the now removed PDB entry [http://oca.weizmann.ac.il/oca-bin/send-pdb?obs=1&id=1wg9 1wg9]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1XKV OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1XKV 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]] 2.2&#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=ATP:ADENOSINE-5-TRIPHOSPHATE'>ATP</scene>, <scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=PO4:PHOSPHATE+ION'>PO4</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=1xkv FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1xkv OCA], [https://pdbe.org/1xkv PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1xkv RCSB], [https://www.ebi.ac.uk/pdbsum/1xkv PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1xkv ProSAT], [https://www.topsan.org/Proteins/RSGI/1xkv TOPSAN]</span></td></tr>
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</table>
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== Function ==
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[https://www.uniprot.org/uniprot/PCKA_THET8 PCKA_THET8] Involved in gluconeogenesis. Catalyzes the conversion of oxaloacetate (OAA) to phosphoenolpyruvate (PEP) through direct phosphoryl transfer between the nucleoside triphosphate and OAA (By similarity).<ref>PMID:16239727</ref>
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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/xk/1xkv_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=1xkv 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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In order to understand the induced fit and the thermostabilization mechanisms of ATP-dependent phosphoenolpyruvate carboxykinase, the crystal structure of the enzyme from the extreme thermophile Thermus thermophilus HB8 (TtPEPCK) was determined and compared with those of orthologues of known structure from two mesophilic organisms. The protomer structures in these orthologues, which exhibit open/closed interdomain conformations, are similar. Isomorphous crystals of unliganded and ATP-bound TtPEPCK were obtained. The asymmetric units of both crystal forms contain two protomers A and B with closed and open conformations, respectively. ATP was only observed in the interdomain cleft of the closed protomer, suggesting that the induced fit of TtPEPCK agrees with the so-called ;conformational selection' mechanism where ligand binding is not essential for domain closure although its binding leads to the stabilization of the closed state. A bound calcium observed in the N-terminal domain of TtPEPCK probably contributes to the thermal stability. A combination of hydrophobic effects, ion pairs and entropic effects might also contribute to the thermostability of TtPEPCK.
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==About this Structure==
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Structure of ATP-dependent phosphoenolpyruvate carboxykinase from Thermus thermophilus HB8 showing the structural basis of induced fit and thermostability.,Sugahara M, Ohshima N, Ukita Y, Sugahara M, Kunishima N Acta Crystallogr D Biol Crystallogr. 2005 Nov;61(Pt 11):1500-7. Epub 2005, Oct 19. PMID:16239727<ref>PMID:16239727</ref>
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1XKV is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Thermus_thermophilus Thermus thermophilus] with CA, PO4, ATP and GOL as [http://en.wikipedia.org/wiki/ligands ligands]. This structure superseeds the now removed PDB entry 1WG9. 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=1XKV 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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Structure of ATP-dependent phosphoenolpyruvate carboxykinase from Thermus thermophilus HB8 showing the structural basis of induced fit and thermostability., Sugahara M, Ohshima N, Ukita Y, Sugahara M, Kunishima N, Acta Crystallogr D Biol Crystallogr. 2005 Nov;61(Pt 11):1500-7. Epub 2005, Oct 19. PMID:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=16239727 16239727]
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</div>
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[[Category: Phosphoenolpyruvate carboxykinase (ATP)]]
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<div class="pdbe-citations 1xkv" style="background-color:#fffaf0;"></div>
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[[Category: Single protein]]
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[[Category: Thermus thermophilus]]
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[[Category: Kunishima, N.]]
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[[Category: RSGI, RIKEN.Structural.Genomics/Proteomics.Initiative.]]
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[[Category: Sugahara, M.]]
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[[Category: ATP]]
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[[Category: CA]]
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[[Category: GOL]]
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[[Category: PO4]]
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[[Category: adenosine triphosphate]]
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[[Category: phosphoenolpyruvate carboxykinase]]
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[[Category: riken structural genomics/proteomics initiative]]
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[[Category: rsgi]]
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[[Category: structural genomics]]
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[[Category: thermus thermophilus]]
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''Page seeded by [http://ispc.weizmann.ac.il/oca OCA ] on Wed Nov 21 06:08:02 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: Large Structures]]
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[[Category: Thermus thermophilus HB8]]
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[[Category: Kunishima N]]
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[[Category: Sugahara M]]

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Crystal Structure Of ATP-Dependent Phosphoenolpyruvate Carboxykinase From Thermus thermophilus HB8

PDB ID 1xkv

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