4br3: Difference between revisions

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{{STRUCTURE_4br3|  PDB=4br3  |  SCENE=  }}
==Determination of potential scaffolds for human choline kinase alpha 1 by chemical deconvolution studies==
===Determination of potential scaffolds for human choline kinase alpha 1 by chemical deconvolution studies===
<StructureSection load='4br3' size='340' side='right' caption='[[4br3]], [[Resolution|resolution]] 2.20&Aring;' scene=''>
{{ABSTRACT_PUBMED_23813777}}
== Structural highlights ==
<table><tr><td colspan='2'>[[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]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4BR3 FirstGlance]. <br>
</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><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>
<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=4br3 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4br3 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4br3 RCSB], [http://www.ebi.ac.uk/pdbsum/4br3 PDBsum]</span></td></tr>
</table>
<div style="background-color:#fffaf0;">
== Publication Abstract from PubMed ==
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.


==Function==
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>
[[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>


==About this Structure==
From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
[[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].
</div>


==Reference==
==See Also==
<ref group="xtra">PMID:023813777</ref><references group="xtra"/><references/>
*[[Choline kinase|Choline kinase]]
== References ==
<references/>
__TOC__
</StructureSection>
[[Category: Homo sapiens]]
[[Category: Homo sapiens]]
[[Category: Entrena, A.]]
[[Category: Entrena, A]]
[[Category: Garcia, A Conejo-.]]
[[Category: Garcia, A Conejo-]]
[[Category: Hurtado-Guerrero, R.]]
[[Category: Hurtado-Guerrero, R]]
[[Category: Rubio-Ruiz, B.]]
[[Category: Rubio-Ruiz, B]]
[[Category: Sahun-Roncero, M.]]
[[Category: Sahun-Roncero, M]]
[[Category: Velazquez-Campoy, A.]]
[[Category: Velazquez-Campoy, A]]
[[Category: Transferase]]
[[Category: Transferase]]
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