1zyu

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(New page: 200px<br /><applet load="1zyu" size="450" color="white" frame="true" align="right" spinBox="true" caption="1zyu, resolution 2.90&Aring;" /> '''Crystal structure of...)
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[[Image:1zyu.gif|left|200px]]<br /><applet load="1zyu" size="450" color="white" frame="true" align="right" spinBox="true"
 
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caption="1zyu, resolution 2.90&Aring;" />
 
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'''Crystal structure of Mycobacterium tuberculosis shikimate kinase in complex with shikimate and amppcp at 2.85 angstrom resolution'''<br />
 
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==Overview==
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==Crystal structure of Mycobacterium tuberculosis shikimate kinase in complex with shikimate and amppcp at 2.85 angstrom resolution==
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Shikimate kinase (SK) and other enzymes in the shikimate pathway are, potential targets for developing nontoxic antimicrobial agents, herbicides, and antiparasite drugs, because the pathway is essential in, microorganisms, plants, and parasites but absent from mammals. SK, catalyzes the reaction of phosphoryl transfer from ATP to shikimic acid, (SA). Since 2002, a total of 11 SK structures have been reported, but none, contains either the two substrate (SA and ATP) or the two product, (SA-phosphate and ADP) molecules. Here, we present three crystal, structures of SK from Mycobacterium tuberculosis (MtSK), including, apo-MtSK, a binary complex MtSK x SA, and the ternary complex of MtSK with, SA and an ATP analogue, AMPPCP. The structures of apo-MtSK and MtSK x, AMPPCP x SA make it possible to elucidate the conformational changes of, MtSK upon the binding of both substrates; the structure of MtSK x AMPPCP x, SA reveals interactions between the protein and gamma-phosphate which, indicate dynamic roles of catalytic residues Lys15 and Arg117.
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<StructureSection load='1zyu' size='340' side='right'caption='[[1zyu]], [[Resolution|resolution]] 2.90&Aring;' scene=''>
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== Structural highlights ==
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<table><tr><td colspan='2'>[[1zyu]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Mycobacterium_tuberculosis Mycobacterium tuberculosis]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1ZYU OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1ZYU 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]] 2.9&#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=ACP:PHOSPHOMETHYLPHOSPHONIC+ACID+ADENYLATE+ESTER'>ACP</scene>, <scene name='pdbligand=SKM:(3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX-1-ENE-1-CARBOXYLIC+ACID'>SKM</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=1zyu FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1zyu OCA], [https://pdbe.org/1zyu PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1zyu RCSB], [https://www.ebi.ac.uk/pdbsum/1zyu PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1zyu ProSAT]</span></td></tr>
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</table>
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== Function ==
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[https://www.uniprot.org/uniprot/AROK_MYCTU AROK_MYCTU] Catalyzes the specific phosphorylation of the 3-hydroxyl group of shikimic acid using ATP as a cosubstrate.<ref>PMID:11483005</ref> <ref>PMID:17020768</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/zy/1zyu_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=1zyu 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 kinase (SK) and other enzymes in the shikimate pathway are potential targets for developing nontoxic antimicrobial agents, herbicides, and antiparasite drugs, because the pathway is essential in microorganisms, plants, and parasites but absent from mammals. SK catalyzes the reaction of phosphoryl transfer from ATP to shikimic acid (SA). Since 2002, a total of 11 SK structures have been reported, but none contains either the two substrate (SA and ATP) or the two product (SA-phosphate and ADP) molecules. Here, we present three crystal structures of SK from Mycobacterium tuberculosis (MtSK), including apo-MtSK, a binary complex MtSK x SA, and the ternary complex of MtSK with SA and an ATP analogue, AMPPCP. The structures of apo-MtSK and MtSK x AMPPCP x SA make it possible to elucidate the conformational changes of MtSK upon the binding of both substrates; the structure of MtSK x AMPPCP x SA reveals interactions between the protein and gamma-phosphate which indicate dynamic roles of catalytic residues Lys15 and Arg117.
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==About this Structure==
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Crystal structure of Mycobacterium tuberculosis shikimate kinase in complex with shikimic acid and an ATP analogue.,Gan J, Gu Y, Li Y, Yan H, Ji X Biochemistry. 2006 Jul 18;45(28):8539-45. PMID:16834327<ref>PMID:16834327</ref>
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1ZYU is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Mycobacterium_tuberculosis Mycobacterium tuberculosis] with ACP and SKM as [http://en.wikipedia.org/wiki/ligands ligands]. Active as [http://en.wikipedia.org/wiki/Shikimate_kinase Shikimate kinase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.1.71 2.7.1.71] Full crystallographic information is available from [http://ispc.weizmann.ac.il/oca-bin/ocashort?id=1ZYU 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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Crystal structure of Mycobacterium tuberculosis shikimate kinase in complex with shikimic acid and an ATP analogue., Gan J, Gu Y, Li Y, Yan H, Ji X, Biochemistry. 2006 Jul 18;45(28):8539-45. PMID:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=16834327 16834327]
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</div>
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[[Category: Mycobacterium tuberculosis]]
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<div class="pdbe-citations 1zyu" style="background-color:#fffaf0;"></div>
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[[Category: Shikimate kinase]]
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[[Category: Single protein]]
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[[Category: Gan, J.H.]]
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[[Category: Gu, Y.J.]]
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[[Category: Ji, X.]]
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[[Category: Li, Y.]]
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[[Category: Yan, H.G.]]
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[[Category: ACP]]
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[[Category: SKM]]
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[[Category: shikimate pathway; shikimate kinase; ternary complex; drug design]]
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''Page seeded by [http://ispc.weizmann.ac.il/oca OCA ] on Wed Nov 21 07:44:49 2007''
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==See Also==
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*[[Shikimate kinase 3D structures|Shikimate kinase 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: Mycobacterium tuberculosis]]
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[[Category: Gan JH]]
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[[Category: Gu YJ]]
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[[Category: Ji X]]
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[[Category: Li Y]]
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[[Category: Yan HG]]

Current revision

Crystal structure of Mycobacterium tuberculosis shikimate kinase in complex with shikimate and amppcp at 2.85 angstrom resolution

PDB ID 1zyu

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