5CT0
Crystal structure of CK2alpha with 3-(3-chloro-4-(phenyl)benzylamino)propan-1-ol bound
Summary for 5CT0
Entry DOI | 10.2210/pdb5ct0/pdb |
Descriptor | Casein kinase II subunit alpha, ACETATE ION, 3-{[(2-chlorobiphenyl-4-yl)methyl]amino}propan-1-ol, ... (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 | 2 |
Total formula weight | 83605.22 |
Authors | Brear, P.,De Fusco, C.,Georgiou, K.H.,Spring, D.,Hyvonen, M. (deposition date: 2015-07-23, 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: 28495381DOI: 10.1016/j.bmc.2017.04.037 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.008 Å) |
Structure validation
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