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4cga

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Revision as of 16:53, 5 August 2016

Human choline kinase a1 in complex with compound 5

Structural highlights

4cga is a 1 chain structure with sequence from Human. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance.
Ligands:
Related:	4cg8, 4cg9
Resources:	FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT

Function

[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.^[1]

Publication Abstract from PubMed

Human choline kinase alpha (CKalpha) is a validated drug target for the treatment of cancer. In recent years, a large number of CK inhibitors have been synthesized, and one of them is currently being evaluated in Phase I clinical trials as a treatment for solid tumors. Here we have evaluated a new series of asymmetrical biscationic CK inhibitors by means of enzymatic, crystallographic, and antitumor studies. We demonstrate that one of these structures adopts a completely new binding mode not observed before inducing the aperture of an adjacent binding site. This compound shows antiproliferative and apoptotic effects on cancer cells through activation of caspase-3. Therefore, this study not only provides fruitful insights into the design of more efficient compounds that may target different regions in CKalpha1 but also explains how these compounds induce apoptosis in cancer cells.

Discovery of a New Binding Site on Human Choline Kinase alpha1: Design, Synthesis, Crystallographic Studies, and Biological Evaluation of Asymmetrical Bispyridinium Derivatives.,Rubio-Ruiz B, Figuerola-Conchas A, Ramos-Torrecillas J, Capitan-Canadas F, Rios-Marco P, Carrasco MP, Gallo MA, Espinosa A, Marco C, Ruiz C, Entrena A, Hurtado-Guerrero R, Conejo-Garcia A J Med Chem. 2014 Jan 14. PMID:24387243^[2]

From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.

References

↑ Gallego-Ortega D, Ramirez de Molina A, Ramos MA, Valdes-Mora F, Barderas MG, Sarmentero-Estrada J, Lacal JC. Differential role of human choline kinase alpha and beta enzymes in lipid metabolism: implications in cancer onset and treatment. PLoS One. 2009 Nov 12;4(11):e7819. doi: 10.1371/journal.pone.0007819. PMID:19915674 doi:10.1371/journal.pone.0007819
↑ Rubio-Ruiz B, Figuerola-Conchas A, Ramos-Torrecillas J, Capitan-Canadas F, Rios-Marco P, Carrasco MP, Gallo MA, Espinosa A, Marco C, Ruiz C, Entrena A, Hurtado-Guerrero R, Conejo-Garcia A. Discovery of a New Binding Site on Human Choline Kinase alpha1: Design, Synthesis, Crystallographic Studies, and Biological Evaluation of Asymmetrical Bispyridinium Derivatives. J Med Chem. 2014 Jan 14. PMID:24387243 doi:http://dx.doi.org/10.1021/jm401665x

1 Structural highlights
2 Function
3 Publication Abstract from PubMed
4 See Also
5 References

Proteopedia Page Contributors and Editors (what is this?)

OCA

Retrieved from "http://52.214.119.220/wiki/index.php/4cga"

@@ Line 1: / Line 1: @@
 ==Human choline kinase a1 in complex with compound 5==
 <StructureSection load='4cga' size='340' side='right' caption='[[4cga]], [[Resolution|resolution]] 1.74&Aring;' scene=''>
@@ Line 5: / Line 6: @@
 </td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=QLW:N,N-DIMETHYL-1-[[4-(2-PHENYLETHYL)PHENYL]METHYL]PYRIDIN-1-IUM-4-AMINE'>QLW</scene></td></tr>
 <tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[4cg8|4cg8]], [[4cg9|4cg9]]</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=4cga FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4cga OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4cga RCSB], [http://www.ebi.ac.uk/pdbsum/4cga PDBsum]</span></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=4cga FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4cga OCA], [http://pdbe.org/4cga PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=4cga RCSB], [http://www.ebi.ac.uk/pdbsum/4cga PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=4cga ProSAT]</span></td></tr>
 </table>
 == Function ==
@@ Line 17: / Line 18: @@
 From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
 </div>
+<div class="pdbe-citations 4cga" style="background-color:#fffaf0;"></div>
 ==See Also==

4cga

From Proteopedia

Revision as of 16:53, 5 August 2016

Human choline kinase a1 in complex with compound 5

Structural highlights

Function

Publication Abstract from PubMed

See Also

References

Contents

Proteopedia Page Contributors and Editors (what is this?)

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