4br3

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{{STRUCTURE_4br3| PDB=4br3 | SCENE= }}
 
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===Determination of potential scaffolds for human choline kinase alpha 1 by chemical deconvolution studies===
 
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==Function==
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==Determination of potential scaffolds for human choline kinase alpha 1 by chemical deconvolution studies==
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[[http://www.uniprot.org/uniprot/CHKA_HUMAN CHKA_HUMAN]] Has a key role in phospholipid biosynthesis and may contribute to tumor cell growth. Catalyzes the first step in phosphatidylcholine biosynthesis. Contributes to phosphatidylethanolamine biosynthesis. Phosphorylates choline and ethanolamine. Has higher activity with choline.<ref>PMID:19915674</ref>
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<StructureSection load='4br3' size='340' side='right'caption='[[4br3]], [[Resolution|resolution]] 2.20&Aring;' scene=''>
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== Structural highlights ==
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<table><tr><td colspan='2'>[[4br3]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4BR3 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4BR3 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]] 2.2&#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=A4V:3-BENZYLADENINE'>A4V</scene>, <scene name='pdbligand=PO4:PHOSPHATE+ION'>PO4</scene>, <scene name='pdbligand=U85:1-((4-((6-AMINO-3H-PURIN-3-YL)METHYL)BIPHENYL-4-YL)METHYL)-4-(DIMETHYLAMINO)PYRIDINIUM'>U85</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=4br3 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4br3 OCA], [https://pdbe.org/4br3 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4br3 RCSB], [https://www.ebi.ac.uk/pdbsum/4br3 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4br3 ProSAT]</span></td></tr>
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</table>
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== Function ==
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[https://www.uniprot.org/uniprot/CHKA_HUMAN CHKA_HUMAN] Has a key role in phospholipid biosynthesis and may contribute to tumor cell growth. Catalyzes the first step in phosphatidylcholine biosynthesis. Contributes to phosphatidylethanolamine biosynthesis. Phosphorylates choline and ethanolamine. Has higher activity with choline.<ref>PMID:19915674</ref>
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<div style="background-color:#fffaf0;">
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== Publication Abstract from PubMed ==
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Dual binding modes: Combined empirical and computational studies of a series of compounds showed adenine and 1-benzyl-4-(dimethylamino)pyridinium fragments to function most efficiently in binding CHOKalpha1, and also determined how the latter fragment interacts with the choline binding site through two different binding modes. These data provide a basis for the future design of better and more selective inhibitors.
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==About this Structure==
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Determination of Potential Scaffolds for Human Choline Kinase alpha1 by Chemical Deconvolution Studies.,Sahun-Roncero M, Rubio-Ruiz B, Conejo-Garcia A, Velazquez-Campoy A, Entrena A, Hurtado-Guerrero R Chembiochem. 2013 Jun 28. doi: 10.1002/cbic.201300195. PMID:23813777<ref>PMID:23813777</ref>
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[[4br3]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4BR3 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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<references group="xtra"/><references/>
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</div>
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<div class="pdbe-citations 4br3" style="background-color:#fffaf0;"></div>
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==See Also==
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*[[Choline kinase 3D structures|Choline kinase 3D structures]]
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== References ==
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<references/>
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__TOC__
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</StructureSection>
[[Category: Homo sapiens]]
[[Category: Homo sapiens]]
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[[Category: Entrena, A.]]
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[[Category: Large Structures]]
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[[Category: Garcia, A Conejo-.]]
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[[Category: Conejo-Garcia A]]
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[[Category: Hurtado-Guerrero, R.]]
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[[Category: Entrena A]]
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[[Category: Rubio-Ruiz, B.]]
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[[Category: Hurtado-Guerrero R]]
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[[Category: Sahun-Roncero, M.]]
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[[Category: Rubio-Ruiz B]]
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[[Category: Velazquez-Campoy, A.]]
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[[Category: Sahun-Roncero M]]
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[[Category: Transferase]]
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[[Category: Velazquez-Campoy A]]

Current revision

Determination of potential scaffolds for human choline kinase alpha 1 by chemical deconvolution studies

PDB ID 4br3

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