5CX9

Crystal structure of CK2alpha with (methyl 4-((3-(3-chloro-4-(phenyl)benzylamino)propyl)amino)-4-oxobutanoate bound

Summary for 5CX9

Entry DOI	10.2210/pdb5cx9/pdb
Descriptor	Casein kinase II subunit alpha, ACETATE ION, methyl 3-[(3-{[(2-chlorobiphenyl-4-yl)methyl]amino}propyl)amino]-3-oxopropanoate, ... (5 entities in total)
Functional Keywords	ck2alpha, ck2a, fragment based drug discovery, high concentration screening, selective atp competitive inhibitors, surface entrophy reduction, transferase
Biological source	Homo sapiens (Human)
Cellular location	Nucleus : P68400
Total number of polymer chains	2
Total formula weight	85259.13
Authors	Brear, P.,De Fusco, C.,Georgiou, K.H.,Spring, D.,Hyvonen, M. (deposition date: 2015-07-28, release date: 2016-11-30, Last modification date: 2024-01-10)
Primary citation	De Fusco, C.,Brear, P.,Iegre, J.,Georgiou, K.H.,Sore, H.F.,Hyvonen, M.,Spring, D.R. A fragment-based approach leading to the discovery of a novel binding site and the selective CK2 inhibitor CAM4066. Bioorg. Med. Chem., 25:3471-3482, 2017 Cited by PubMed: 28495381 DOI: 10.1016/j.bmc.2017.04.037 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.732 Å)

Structure validation