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5afv

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==Pharmacophore-based virtual screening to discover new active compounds for human choline kinase alpha1.==
==Pharmacophore-based virtual screening to discover new active compounds for human choline kinase alpha1.==
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<StructureSection load='5afv' size='340' side='right' caption='[[5afv]], [[Resolution|resolution]] 2.25&Aring;' scene=''>
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<StructureSection load='5afv' size='340' side='right'caption='[[5afv]], [[Resolution|resolution]] 2.25&Aring;' scene=''>
== Structural highlights ==
== Structural highlights ==
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<table><tr><td colspan='2'>[[5afv]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5AFV OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5AFV FirstGlance]. <br>
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<table><tr><td colspan='2'>[[5afv]] 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=5AFV OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=5AFV FirstGlance]. <br>
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</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=JH5:1-BENZYL-4-(BENZYLAMINO)-1H-1,2,4-TRIAZOL-4-IUM'>JH5</scene></td></tr>
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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]] 2.25&#8491;</td></tr>
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<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=5afv FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5afv OCA], [http://pdbe.org/5afv PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5afv RCSB], [http://www.ebi.ac.uk/pdbsum/5afv PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5afv ProSAT]</span></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=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=JH5:1-BENZYL-4-(BENZYLAMINO)-1H-1,2,4-TRIAZOL-4-IUM'>JH5</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=5afv FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5afv OCA], [https://pdbe.org/5afv PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=5afv RCSB], [https://www.ebi.ac.uk/pdbsum/5afv PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=5afv ProSAT]</span></td></tr>
</table>
</table>
== Function ==
== Function ==
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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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[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;">
<div style="background-color:#fffaf0;">
== Publication Abstract from PubMed ==
== Publication Abstract from PubMed ==
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==See Also==
==See Also==
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*[[Choline kinase|Choline kinase]]
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*[[Choline kinase 3D structures|Choline kinase 3D structures]]
== References ==
== References ==
<references/>
<references/>
__TOC__
__TOC__
</StructureSection>
</StructureSection>
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[[Category: Entrena, A]]
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[[Category: Homo sapiens]]
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[[Category: Hurtado-Guerrero, R]]
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[[Category: Large Structures]]
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[[Category: Lopez-Cara, L C]]
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[[Category: Entrena A]]
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[[Category: Macchiarulo, A]]
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[[Category: Gallo Mezo MA]]
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[[Category: Mezo, M A.Gallo]]
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[[Category: Hurtado-Guerrero R]]
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[[Category: Nuti, R]]
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[[Category: Lopez-Cara LC]]
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[[Category: Serran-Aguilera, L]]
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[[Category: Macchiarulo A]]
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[[Category: Pharmacophore]]
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[[Category: Nuti R]]
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[[Category: Transferase]]
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[[Category: Serran-Aguilera L]]
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[[Category: Virtual screening]]
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Current revision

Pharmacophore-based virtual screening to discover new active compounds for human choline kinase alpha1.

PDB ID 5afv

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