5OTQ

The crystal structure of CK2alpha in complex with compound 33

Summary for 5OTQ

Entry DOI	10.2210/pdb5otq/pdb
Descriptor	Casein kinase II subunit alpha, ACETATE ION, 2-(1~{H}-benzimidazol-2-yl)-~{N}-[[4-(2-ethylphenyl)-3-methoxy-phenyl]methyl]ethanamine, ... (4 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	1
Total formula weight	41675.49
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: 2018-02-28, 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 (1.38 Å)

Structure validation