4CG9

Human choline kinase a1 in complex with compound 12

Summary for 4CG9

Entry DOI	10.2210/pdb4cg9/pdb
Related	4CG8 4CGA
Descriptor	CHOLINE KINASE ALPHA, N,N-dimethyl-1-[(4-phenylphenyl)methyl]pyridin-1-ium-4-amine (3 entities in total)
Functional Keywords	transferase, cancer, drug target, biscationic compounds
Biological source	HOMO SAPIENS (HUMAN)
Cellular location	Cytoplasm: P35790
Total number of polymer chains	1
Total formula weight	45243.85
Authors	Rubio-Ruiz, B.,Figuerola-Conchas, A.,Ramos-Torrecillas, J.,Capitan-Canadas, F.,Rios-Marco, P.,Carrasco, M.P.,Gallo, M.A.,Espinosa, A.,Marco, C.,Concepcion, C.,Entrena-Guadix, A.,Hurtado-Guerrero, R.,Conejo-Garcia, A. (deposition date: 2013-11-21, release date: 2014-01-15, Last modification date: 2023-12-20)
Primary citation	Rubio-Ruiz, B.,Figuerola-Conchas, A.,Ramos-Torrecillas, J.,Capitan-Canadas, F.,Rios-Marco, P.,Carrasco, M.P.,Gallo, M.A.,Espinosa, A.,Marco, C.,Concepcion, C.,Entrena-Guadix, A.,Hurtado-Guerrero, R.,Conejo-Garcia, A. Discovery of a New Binding Site on Human Choline Kinase A1: Design, Synthesis, Crystallographic Studies and Biological Evaluation of Asymmetrical Bispyridinium Derivatives J.Med.Chem., 57:507-, 2014 Cited by PubMed: 24387243 DOI: 10.1021/JM401665X PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.83 Å)

Structure validation