6L24

Crystal structure of CK2a1 H115Y/V116I with hematein

6L24 の概要

• エントリーDOI: 10.2210/pdb6l24/pdb
• 分子名称: Casein kinase II subunit alpha, (6aR)-3,4,6a,10-tetrakis(oxidanyl)-6,7-dihydroindeno[2,1-c]chromen-9-one (3 entities in total)
• 機能のキーワード: protein kinase, transferase, inhibitor, complex
• 由来する生物種: Homo sapiens (Human)
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 40817.51

構造登録者

Tsuyuguchi, M.,Kinoshita, T. (登録日: 2019-10-02, 公開日: 2020-02-26, 最終更新日: 2023-11-22)

主引用文献

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

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: 31859160
DOI: 10.1016/j.bmcl.2019.126837

実験手法

X-RAY DIFFRACTION (2.40009490218 Å)