5OTS

The crystal structure of CK2alpha in complex with an analogue of compound 22

Summary for 5OTS

Entry DOI	10.2210/pdb5ots/pdb
Descriptor	Casein kinase II subunit alpha, 2-(1~{H}-benzimidazol-2-yl)ethyl-[[3,5-bis(chloranyl)-4-phenyl-phenyl]methyl]azanium (3 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)
Total number of polymer chains	1
Total formula weight	41978.36
Authors	Brear, P.,De Fusco, C.,Iegre, J.,Yoshida, M.,Mitchell, S.,Rossmann, M.,Carro, L.,Sore, H.,Hyvonen, M.,Spring, D. (deposition date: 2017-08-22, release date: 2018-09-05, Last modification date: 2024-01-17)
Primary citation	Iegre, J.,Brear, P.,De Fusco, C.,Yoshida, M.,Mitchell, S.L.,Rossmann, M.,Carro, L.,Sore, H.F.,Hyvonen, M.,Spring, D.R. Second-generation CK2 alpha inhibitors targeting the alpha D pocket. Chem Sci, 9:3041-3049, 2018 Cited by PubMed: 29732088 DOI: 10.1039/c7sc05122k PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.9 Å)

Structure validation