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1lii

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(New page: 200px<br /><applet load="1lii" size="450" color="white" frame="true" align="right" spinBox="true" caption="1lii, resolution 1.73&Aring;" /> '''STRUCTURE OF T. GOND...)
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[[Image:1lii.jpg|left|200px]]<br /><applet load="1lii" size="450" color="white" frame="true" align="right" spinBox="true"
 
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caption="1lii, resolution 1.73&Aring;" />
 
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'''STRUCTURE OF T. GONDII ADENOSINE KINASE BOUND TO ADENOSINE 2 AND AMP-PCP'''<br />
 
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==Overview==
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==STRUCTURE OF T. GONDII ADENOSINE KINASE BOUND TO ADENOSINE 2 AND AMP-PCP==
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Adenosine kinase (AK) is a key purine metabolic enzyme from the, opportunistic parasitic protozoan Toxoplasma gondii and belongs to the, family of carbohydrate kinases that includes ribokinase. To understand the, catalytic mechanism of AK, we determined the structures of the T. gondii, apo AK, AK:adenosine complex and the AK:adenosine:AMP-PCP complex to 2.55, A, 2.50 A and 1.71 A resolution, respectively. These structures reveal a, novel catalytic mechanism that involves an adenosine-induced domain, rotation of 30 degrees and a newly described anion hole (DTXGAGD), requiring a helix-to-coil conformational change that is induced by ATP, binding. Nucleotide binding also evokes a coil-to-helix transition that, completes the formation of the ATP binding pocket. A conserved dipeptide, Gly68-Gly69, which is located at the bottom of the adenosine-binding site, functions as the switch for domain rotation. The synergistic structural, changes that occur upon substrate binding sequester the adenosine and the, ATP gamma phosphate from solvent and optimally position the substrates for, catalysis. Finally, the 1.84 A resolution structure of an, AK:7-iodotubercidin:AMP-PCP complex reveals the basis for the higher, affinity binding of this prodrug over adenosine and thus provides a, scaffold for the design of new inhibitors and subversive substrates that, target the T. gondii AK.
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<StructureSection load='1lii' size='340' side='right'caption='[[1lii]], [[Resolution|resolution]] 1.73&Aring;' scene=''>
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== Structural highlights ==
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<table><tr><td colspan='2'>[[1lii]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Toxoplasma_gondii Toxoplasma gondii]. This structure supersedes the now removed PDB entry [http://oca.weizmann.ac.il/oca-bin/send-pdb?obs=1&id=1dgy 1dgy]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1LII OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1LII 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]] 1.73&#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=ADN:ADENOSINE'>ADN</scene>, <scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</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=1lii FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1lii OCA], [https://pdbe.org/1lii PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1lii RCSB], [https://www.ebi.ac.uk/pdbsum/1lii PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1lii ProSAT]</span></td></tr>
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</table>
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== Function ==
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[https://www.uniprot.org/uniprot/ADK_TOXGO ADK_TOXGO] ATP-dependent phosphorylation of adenosine and other related nucleoside analogs to monophosphate derivatives. It is a key purine metabolic enzyme in the opportunistic parasitic protozoan toxoplasma gondii as it cannot synthesize purines de novo.
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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/li/1lii_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=1lii 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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1LII is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Toxoplasma_gondii Toxoplasma gondii] with MG, CL, ADN and ACP as [http://en.wikipedia.org/wiki/ligands ligands]. This structure superseeds the now removed PDB entry 1DGY. Active as [http://en.wikipedia.org/wiki/Adenosine_kinase Adenosine kinase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.1.20 2.7.1.20] Full crystallographic information is available from [http://ispc.weizmann.ac.il/oca-bin/ocashort?id=1LII OCA].
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*[[Adenosine kinase 3D structures|Adenosine kinase 3D structures]]
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__TOC__
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==Reference==
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</StructureSection>
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Crystal structures of Toxoplasma gondii adenosine kinase reveal a novel catalytic mechanism and prodrug binding., Schumacher MA, Scott DM, Mathews II, Ealick SE, Roos DS, Ullman B, Brennan RG, J Mol Biol. 2000 May 19;298(5):875-93. PMID:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=10801355 10801355]
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[[Category: Large Structures]]
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[[Category: Adenosine kinase]]
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[[Category: Single protein]]
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[[Category: Toxoplasma gondii]]
[[Category: Toxoplasma gondii]]
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[[Category: Brennan, R.G.]]
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[[Category: Brennan RG]]
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[[Category: Ealick, S.E.]]
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[[Category: Ealick SE]]
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[[Category: Mathews, I.I.]]
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[[Category: Mathews II]]
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[[Category: Roos, D.S.]]
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[[Category: Roos DS]]
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[[Category: Schumacher, M.A.]]
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[[Category: Schumacher MA]]
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[[Category: Scott, D.M.]]
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[[Category: Scott DM]]
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[[Category: Ullman, B.]]
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[[Category: Ullman B]]
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[[Category: ACP]]
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[[Category: ADN]]
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[[Category: CL]]
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[[Category: MG]]
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[[Category: alpha-beta structure]]
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''Page seeded by [http://ispc.weizmann.ac.il/oca OCA ] on Tue Nov 20 20:35:04 2007''
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Current revision

STRUCTURE OF T. GONDII ADENOSINE KINASE BOUND TO ADENOSINE 2 AND AMP-PCP

PDB ID 1lii

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