2xtb

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[[Image:2xtb.jpg|left|200px]]
 
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==Crystal Structure of Trypanosoma brucei rhodesiense Adenosine Kinase Complexed with Activator==
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The line below this paragraph, containing "STRUCTURE_2xtb", creates the "Structure Box" on the page.
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<StructureSection load='2xtb' size='340' side='right'caption='[[2xtb]], [[Resolution|resolution]] 2.80&Aring;' scene=''>
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== Structural highlights ==
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or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
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<table><tr><td colspan='2'>[[2xtb]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Trypanosoma_brucei_rhodesiense Trypanosoma brucei rhodesiense]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2XTB OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2XTB 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]] 2.8&#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=KRM:4-[5-(4-PHENOXYPHENYL)-1H-PYRAZOL-3-YL]MORPHOLINE'>KRM</scene></td></tr>
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{{STRUCTURE_2xtb| PDB=2xtb | SCENE= }}
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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=2xtb FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2xtb OCA], [https://pdbe.org/2xtb PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2xtb RCSB], [https://www.ebi.ac.uk/pdbsum/2xtb PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2xtb ProSAT]</span></td></tr>
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</table>
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== Function ==
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[https://www.uniprot.org/uniprot/Q584S0_TRYB2 Q584S0_TRYB2]
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<div style="background-color:#fffaf0;">
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== Publication Abstract from PubMed ==
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BACKGROUND: The essential purine salvage pathway of Trypanosoma brucei bears interesting catalytic enzymes for chemotherapeutic intervention of Human African Trypanosomiasis. Unlike mammalian cells, trypanosomes lack de novo purine synthesis and completely rely on salvage from their hosts. One of the key enzymes is adenosine kinase which catalyzes the phosphorylation of ingested adenosine to form adenosine monophosphate (AMP) utilizing adenosine triphosphate (ATP) as the preferred phosphoryl donor. METHODS AND FINDINGS: Here, we present the first structures of Trypanosoma brucei rhodesiense adenosine kinase (TbrAK): the structure of TbrAK in complex with the bisubstrate inhibitor P(1),P(5)-di(adenosine-5')-pentaphosphate (AP5A) at 1.55 A, and TbrAK complexed with the recently discovered activator 4-[5-(4-phenoxyphenyl)-2H-pyrazol-3-yl]morpholine (compound 1) at 2.8 A resolution. CONCLUSIONS: The structural details and their comparison give new insights into substrate and activator binding to TbrAK at the molecular level. Further structure-activity relationship analyses of a series of derivatives of compound 1 support the observed binding mode of the activator and provide a possible mechanism of action with respect to their activating effect towards TbrAK.
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===CRYSTAL STRUCTURE OF TRYPANOSOMA BRUCEI RHODESIENSE ADENOSINE KINASE COMPLEXED WITH ACTIVATOR===
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Crystal Structures of T. b. rhodesiense Adenosine Kinase Complexed with Inhibitor and Activator: Implications for Catalysis and Hyperactivation.,Kuettel S, Greenwald J, Kostrewa D, Ahmed S, Scapozza L, Perozzo R PLoS Negl Trop Dis. 2011 May;5(5):e1164. Epub 2011 May 24. PMID:21629723<ref>PMID:21629723</ref>
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From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
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</div>
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<div class="pdbe-citations 2xtb" style="background-color:#fffaf0;"></div>
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==See Also==
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The line below this paragraph, {{ABSTRACT_PUBMED_21629723}}, adds the Publication Abstract to the page
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*[[Adenosine kinase 3D structures|Adenosine kinase 3D structures]]
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(as it appears on PubMed at http://www.pubmed.gov), where 21629723 is the PubMed ID number.
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== References ==
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<references/>
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{{ABSTRACT_PUBMED_21629723}}
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__TOC__
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</StructureSection>
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==About this Structure==
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[[Category: Large Structures]]
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[[2xtb]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Trypanosoma_brucei_rhodesiense Trypanosoma brucei rhodesiense]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2XTB OCA].
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==Reference==
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<ref group="xtra">PMID:021629723</ref><references group="xtra"/>
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[[Category: Adenosine kinase]]
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[[Category: Trypanosoma brucei rhodesiense]]
[[Category: Trypanosoma brucei rhodesiense]]
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[[Category: Ahmed, S.]]
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[[Category: Ahmed S]]
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[[Category: Greenwald, J.]]
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[[Category: Greenwald J]]
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[[Category: Kostrewa, D.]]
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[[Category: Kostrewa D]]
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[[Category: Kuettel, S.]]
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[[Category: Kuettel S]]
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[[Category: Perozzo, R.]]
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[[Category: Perozzo R]]
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[[Category: Scapozza, L.]]
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[[Category: Scapozza L]]
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[[Category: Transferase]]
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Current revision

Crystal Structure of Trypanosoma brucei rhodesiense Adenosine Kinase Complexed with Activator

PDB ID 2xtb

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