7A04

Structure of human CKa1 in complex with compound b

Summary for 7A04

Entry DOI	10.2210/pdb7a04/pdb
Descriptor	Choline kinase alpha, 1-(phenylmethyl)-4-pyrrolidin-1-yl-pyridin-1-ium, 1,2-ETHANEDIOL, ... (4 entities in total)
Functional Keywords	choline kinase, drugs, cancer, anti proliferative effect, half molecules, transferase
Biological source	Homo sapiens (Human)
Total number of polymer chains	2
Total formula weight	90697.92
Authors	Serran-Aguilera, L.,Mariotto, E.,Rubbini, G.,Castro Navas, F.C.,Marco, C.,Carrasco-Jimenez, M.P.,Ballarotto, M.,Macchiarulo, A.,Hurtado-Guerrero, R.,Viola, G.,Lopez-Cara, L.C. (deposition date: 2020-08-06, release date: 2020-09-09, Last modification date: 2024-01-31)
Primary citation	Serran-Aguilera, L.,Mariotto, E.,Rubbini, G.,Castro Navas, F.F.,Marco, C.,Carrasco-Jimenez, M.P.,Ballarotto, M.,Macchiarulo, A.,Hurtado-Guerrero, R.,Viola, G.,Lopez-Cara, L.C. Synthesis, biological evaluation, in silico modeling and crystallization of novel small monocationic molecules with potent antiproliferative activity by dual mechanism. Eur.J.Med.Chem., 207:112797-112797, 2020 Cited by PubMed: 32977218 DOI: 10.1016/j.ejmech.2020.112797 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.15 Å)

Structure validation