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| ==Adenosine kinase from Schistosoma mansoni in complex with adenosine== | | ==Adenosine kinase from Schistosoma mansoni in complex with adenosine== |
| <StructureSection load='3vaq' size='340' side='right' caption='[[3vaq]], [[Resolution|resolution]] 2.44Å' scene=''> | | <StructureSection load='3vaq' size='340' side='right'caption='[[3vaq]], [[Resolution|resolution]] 2.44Å' scene=''> |
| == Structural highlights == | | == Structural highlights == |
| <table><tr><td colspan='2'>[[3vaq]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Schistosoma_mansoni Schistosoma mansoni]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3VAQ OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3VAQ FirstGlance]. <br> | | <table><tr><td colspan='2'>[[3vaq]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Schistosoma_mansoni Schistosoma mansoni]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3VAQ OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3VAQ FirstGlance]. <br> |
| </td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=ADN:ADENOSINE'>ADN</scene>, <scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene></td></tr> | | </td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 2.44Å</td></tr> |
| <tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[3uq6|3uq6]], [[3uq9|3uq9]], [[3vas|3vas]]</td></tr>
| | <tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=ADN:ADENOSINE'>ADN</scene>, <scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene></td></tr> |
| <tr id='gene'><td class="sblockLbl"><b>[[Gene|Gene:]]</b></td><td class="sblockDat">Adenosine kinase, Smp_008360 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=6183 Schistosoma mansoni])</td></tr> | | <tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=3vaq FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3vaq OCA], [https://pdbe.org/3vaq PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3vaq RCSB], [https://www.ebi.ac.uk/pdbsum/3vaq PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3vaq ProSAT]</span></td></tr> |
| <tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[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] </span></td></tr>
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| <tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3vaq FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3vaq OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3vaq RCSB], [http://www.ebi.ac.uk/pdbsum/3vaq PDBsum]</span></td></tr> | |
| </table> | | </table> |
| <div style="background-color:#fffaf0;">
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| == Publication Abstract from PubMed ==
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| In adult schistosomes, the enzyme adenosine kinase (AK) is responsible for the incorporation of some adenosine analogues, such as 2-fluoroadenosine and tubercidin, into the nucleotide pool, but not others. In the present study, the structures of four complexes of Schistosoma mansoni AK bound to adenosine and adenosine analogues are reported which shed light on this observation. Two differences in the adenosine-binding site in comparison with the human counterpart (I38Q and T36A) are responsible for their differential specificities towards adenosine analogues, in which the Schistosoma enzyme does not tolerate bulky substituents at the N7 base position. This aids in explaining experimental data which were reported in the literature more than two decades ago. Furthermore, there appears to be considerable plasticity within the substrate-binding sites that affects the side-chain conformation of Ile38 and causes a previously unobserved flexibility within the loop comprising residues 286-299. These results reveal that the latter can be sterically occluded in the absence of ATP. Overall, these results contribute to the body of knowledge concerning the enzymes of the purine salvage pathway in this important human parasite.
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| Adenosine kinase from Schistosoma mansoni: structural basis for the differential incorporation of nucleoside analogues.,Romanello L, Bachega JF, Cassago A, Brandao-Neto J, Demarco R, Garratt RC, Pereira HD Acta Crystallogr D Biol Crystallogr. 2013 Jan;69(Pt 1):126-36. doi:, 10.1107/S0907444912044800. Epub 2012 Dec 20. PMID:23275171<ref>PMID:23275171</ref>
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| From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
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| </div>
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| == References ==
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| <references/>
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| __TOC__ | | __TOC__ |
| </StructureSection> | | </StructureSection> |
| [[Category: Adenosine kinase]] | | [[Category: Large Structures]] |
| [[Category: Schistosoma mansoni]] | | [[Category: Schistosoma mansoni]] |
| [[Category: Bachega, F R]] | | [[Category: Bachega FR]] |
| [[Category: DeMarco, R]] | | [[Category: DeMarco R]] |
| [[Category: Garatt, R C]] | | [[Category: Garatt RC]] |
| [[Category: Pereira, H M]] | | [[Category: Pereira HM]] |
| [[Category: Romanello, L]] | | [[Category: Romanello L]] |
| [[Category: Enzyme]]
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| [[Category: Ribokinase]]
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| [[Category: Transferase]]
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