5MO8

Crystal Structure of CK2alpha with N-(3-(((2-chloro-[1,1'-biphenyl]-4-yl)methyl)amino)propyl)methanesulfonamide bound

Summary for 5MO8

Entry DOI	10.2210/pdb5mo8/pdb
Descriptor	Casein kinase II subunit alpha, ACETATE ION, 3-[[3-[3-[(3-chloranyl-4-phenyl-phenyl)methylamino]propylamino]-3-oxidanylidene-propanoyl]amino]benzoic acid, ... (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	84262.57
Authors	Brear, P.,De Fusco, C.,Georgiou, K.,Iegre, J.,Sore, H.,Hyvonen, M.,Spring, D. (deposition date: 2016-12-13, release date: 2017-05-24, Last modification date: 2024-01-17)
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 (1.82 Å)

Structure validation