3zm9
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| - | {{STRUCTURE_3zm9| PDB=3zm9 | SCENE= }} | ||
| - | ===The mechanism of allosteric coupling in choline kinase a1 revealed by a rationally designed inhibitor=== | ||
| - | {{ABSTRACT_PUBMED_23441033}} | ||
| - | == | + | ==The mechanism of allosteric coupling in choline kinase a1 revealed by a rationally designed inhibitor== |
| - | [[3zm9]] is a 2 chain structure with sequence from [ | + | <StructureSection load='3zm9' size='340' side='right'caption='[[3zm9]], [[Resolution|resolution]] 1.90Å' scene=''> |
| + | == Structural highlights == | ||
| + | <table><tr><td colspan='2'>[[3zm9]] 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=3ZM9 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3ZM9 FirstGlance]. <br> | ||
| + | </td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 1.9Å</td></tr> | ||
| + | <tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=QMQ:1-(4-(4-(4-((6-AMINO-9H-PURIN-9-YL)METHYL)PHENYL)BUTYL)BENZYL)-4-+(DIMETHYLAMINO)PYRIDINIUM'>QMQ</scene></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=3zm9 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3zm9 OCA], [https://pdbe.org/3zm9 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3zm9 RCSB], [https://www.ebi.ac.uk/pdbsum/3zm9 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3zm9 ProSAT]</span></td></tr> | ||
| + | </table> | ||
| + | == Function == | ||
| + | [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> | ||
| + | <div style="background-color:#fffaf0;"> | ||
| + | == Publication Abstract from PubMed == | ||
| + | Applying a CHOK hold: Combined experimental and computational studies of the binding mode of a rationally designed inhibitor of the dimeric choline kinase alpha1 (CHOKalpha1) explain the molecular mechanism of negative cooperativity and how the monomers are connected. The results give insight into how the symmetry of the dimer can be partially conserved despite a lack of conservation in the static crystal structures. | ||
| + | |||
| + | The Mechanism of Allosteric Coupling in Choline Kinase alpha1 Revealed by the Action of a Rationally Designed Inhibitor.,Sahun-Roncero M, Rubio-Ruiz B, Saladino G, Conejo-Garcia A, Espinosa A, Velazquez-Campoy A, Gervasio FL, Entrena A, Hurtado-Guerrero R Angew Chem Int Ed Engl. 2013 Feb 25. doi: 10.1002/anie.201209660. PMID:23441033<ref>PMID:23441033</ref> | ||
| + | |||
| + | From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | ||
| + | </div> | ||
| + | <div class="pdbe-citations 3zm9" style="background-color:#fffaf0;"></div> | ||
| + | |||
| + | ==See Also== | ||
| + | *[[Choline kinase 3D structures|Choline kinase 3D structures]] | ||
| + | == References == | ||
| + | <references/> | ||
| + | __TOC__ | ||
| + | </StructureSection> | ||
[[Category: Homo sapiens]] | [[Category: Homo sapiens]] | ||
| - | [[Category: Conejo-Garcia | + | [[Category: Large Structures]] |
| - | [[Category: Entrena | + | [[Category: Conejo-Garcia A]] |
| - | [[Category: Espinosa | + | [[Category: Entrena A]] |
| - | [[Category: Gervasio | + | [[Category: Espinosa A]] |
| - | [[Category: Hurtado-Guerrero | + | [[Category: Gervasio FL]] |
| - | [[Category: Rubio-Ruiz | + | [[Category: Hurtado-Guerrero R]] |
| - | [[Category: Sahun-Roncero | + | [[Category: Rubio-Ruiz B]] |
| - | [[Category: Saladino | + | [[Category: Sahun-Roncero M]] |
| - | [[Category: Velazquez-Campoy | + | [[Category: Saladino G]] |
| - | + | [[Category: Velazquez-Campoy A]] | |
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Current revision
The mechanism of allosteric coupling in choline kinase a1 revealed by a rationally designed inhibitor
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