4br3

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

spinqualitylabelsall models 4br3, resolution 2.20Å Show:Asymmetric Unit Biological Assembly Drag the structure with the mouse to rotate   Export Animated Image   Print3D Structural highlights 4br3 is a 2 chain structure with sequence from Homo sapiens. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance. Method: X-ray diffraction, Resolution 2.2Å Ligands: A4V, PO4, U85 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. 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. 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 From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine. See Also Choline kinase 3D structures

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