6L23
Crystal structure of CK2a1 V116I with hematein
Summary for 6L23
| Entry DOI | 10.2210/pdb6l23/pdb |
| Descriptor | Casein kinase II subunit alpha, 1,2-ETHANEDIOL, (6aR)-3,4,6a,10-tetrakis(oxidanyl)-6,7-dihydroindeno[2,1-c]chromen-9-one, ... (4 entities in total) |
| Functional Keywords | protein kinase, transferase, inhibitor, complex |
| Biological source | Homo sapiens (Human) |
| Total number of polymer chains | 1 |
| Total formula weight | 41351.09 |
| Authors | Tsuyuguchi, M.,Kinoshita, T. (deposition date: 2019-10-02, release date: 2021-03-31, Last modification date: 2023-11-22) |
| Primary citation | Tsuyuguchi, M.,Nakaniwa, T.,Hirasawa, A.,Nakanishi, I.,Kinoshita, T. Structural insights for producing CK2 alpha 1-specific inhibitors. Bioorg.Med.Chem.Lett., 30:126837-126837, 2020 Cited by PubMed Abstract: Casein kinase 2 catalytic subunit (CK2α) is classified into two subtypes CK2α1 and CK2α2. CK2α1 is a drug discovery target, whereas CK2α2 is an off-target of CK2α1 inhibitors. High amino acid sequence homology between these subtypes hampers efforts to produce ATP competitive inhibitors that are highly selective to CK2α1. Hematein was identified previously as a non-ATP-competitive inhibitor for CK2α1, whereas this compound acts as an ATP competitive CK2α2 inhibitor. Crystal structures of CK2α1 and CK2α2 in complex with hematein revealed distinct binding features that provide structural insights for producing CK2α1-selective inhibitors. PubMed: 31859160DOI: 10.1016/j.bmcl.2019.126837 PDB entries with the same primary citation |
| Experimental method | X-RAY DIFFRACTION (1.9744942746 Å) |
Structure validation
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