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1fws

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(New page: 200px<br /><applet load="1fws" size="450" color="white" frame="true" align="right" spinBox="true" caption="1fws, resolution 1.90&Aring;" /> '''AQUIFEX AEOLICUS KDO...)
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[[Image:1fws.jpg|left|200px]]<br /><applet load="1fws" size="450" color="white" frame="true" align="right" spinBox="true"
 
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caption="1fws, resolution 1.90&Aring;" />
 
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'''AQUIFEX AEOLICUS KDO8P SYNTHASE IN COMPLEX WITH PEP AND CADMIUM'''<br />
 
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==Overview==
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==AQUIFEX AEOLICUS KDO8P SYNTHASE IN COMPLEX WITH PEP AND CADMIUM==
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3-Deoxy-D-manno-octulosonate-8-phosphate synthase (KDO8PS) from the, hyperthermophilic bacterium Aquifex aeolicus differs from its Escherichia, coli counterpart in the requirement of a divalent metal for activity, (Duewel, H. S., and Woodard, R. W. (2000) J. Biol. Chem. 275, 22824-22831). Here we report the crystal structure of the A. aeolicus, enzyme, which was determined by molecular replacement using E. coli KDO8PS, as a model. The structures of the metal-free and Cd(2+) forms of the, enzyme were determined in the uncomplexed state and in complex with, various combinations of phosphoenolpyruvate (PEP), arabinose 5-phosphate, (A5P), and erythrose 4-phosphate (E4P). Like the E. coli enzyme, A., aeolicus KDO8PS is a homotetramer containing four distinct active sites at, the interface between subunits. The active site cavity is open in the, substrate-free enzyme or when either A5P alone or PEP alone binds, and, becomes isolated from the aqueous phase when both PEP and A5P (or E4P), bind together. In the presence of metal, the enzyme is asymmetric and, appears to alternate catalysis between the active sites located on one, face of the tetramer and those located on the other face. In the absence, of metal, the asymmetry is lost. Details of the active site that may be, important for catalysis are visible at the high resolution achieved in, these structures. Most notably, the shape of the PEP-binding pocket forces, PEP to assume a distorted geometry at C-2, which might anticipate the, conversion from sp(2) to sp(3) hybridization occurring during intermediate, formation and which may modulate PEP reactivity toward A5P. Two water, molecules are located in van der Waals contact with the si and re sides of, C-2(PEP), respectively. Abstraction of a proton from either of these water, molecules by a protein group is expected to elicit a nucleophilic attack, of the resulting hydroxide ion on the nearby C-2(PEP), thus triggering the, beginning of the catalytic cycle.
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<StructureSection load='1fws' size='340' side='right'caption='[[1fws]], [[Resolution|resolution]] 1.90&Aring;' scene=''>
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== Structural highlights ==
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<table><tr><td colspan='2'>[[1fws]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Aquifex_aeolicus Aquifex aeolicus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1FWS OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1FWS 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]] 1.9&#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=CD:CADMIUM+ION'>CD</scene>, <scene name='pdbligand=PEP:PHOSPHOENOLPYRUVATE'>PEP</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=1fws FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1fws OCA], [https://pdbe.org/1fws PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1fws RCSB], [https://www.ebi.ac.uk/pdbsum/1fws PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1fws ProSAT]</span></td></tr>
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</table>
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== Function ==
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[https://www.uniprot.org/uniprot/KDSA_AQUAE KDSA_AQUAE]
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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/fw/1fws_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=1fws ConSurf].
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<div style="clear:both"></div>
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==About this Structure==
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==See Also==
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1FWS is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Aquifex_aeolicus Aquifex aeolicus] with PO4, CD and PEP as [http://en.wikipedia.org/wiki/ligands ligands]. Active as [http://en.wikipedia.org/wiki/3-deoxy-8-phosphooctulonate_synthase 3-deoxy-8-phosphooctulonate synthase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.5.1.55 2.5.1.55] Full crystallographic information is available from [http://ispc.weizmann.ac.il/oca-bin/ocashort?id=1FWS OCA].
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*[[Kdo-8-phosphate synthase|Kdo-8-phosphate synthase]]
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__TOC__
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==Reference==
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</StructureSection>
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Substrate and metal complexes of 3-deoxy-D-manno-octulosonate-8-phosphate synthase from Aquifex aeolicus at 1.9-A resolution. Implications for the condensation mechanism., Duewel HS, Radaev S, Wang J, Woodard RW, Gatti DL, J Biol Chem. 2001 Mar 16;276(11):8393-402. Epub 2000 Dec 13. PMID:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=11115499 11115499]
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[[Category: 3-deoxy-8-phosphooctulonate synthase]]
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[[Category: Aquifex aeolicus]]
[[Category: Aquifex aeolicus]]
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[[Category: Single protein]]
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[[Category: Large Structures]]
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[[Category: Duewel, H.S.]]
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[[Category: Duewel HS]]
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[[Category: Gatti, D.L.]]
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[[Category: Gatti DL]]
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[[Category: Radaev, S.]]
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[[Category: Radaev S]]
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[[Category: Wang, J.]]
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[[Category: Wang J]]
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[[Category: Woodard, R.W.]]
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[[Category: Woodard RW]]
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[[Category: CD]]
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[[Category: PEP]]
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[[Category: PO4]]
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[[Category: a5p]]
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[[Category: beta/alpha barrel]]
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[[Category: kdo]]
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[[Category: kdo8p]]
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[[Category: kdo8ps]]
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[[Category: pep]]
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''Page seeded by [http://ispc.weizmann.ac.il/oca OCA ] on Tue Nov 20 15:23:45 2007''
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Current revision

AQUIFEX AEOLICUS KDO8P SYNTHASE IN COMPLEX WITH PEP AND CADMIUM

PDB ID 1fws

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