6HNY

Human protein kinase CK2 alpha in complex with boldine

6HNY の概要

• エントリーDOI: 10.2210/pdb6hny/pdb
• 関連するPDBエントリー: 6HNW
• 分子名称: Casein kinase II subunit alpha, Boldine, SULFATE ION, ... (5 entities in total)
• 機能のキーワード: kinase domain, transferase
• 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: 40829.43

構造登録者

Battistutta, R.,Lolli, G. (登録日: 2018-09-17, 公開日: 2019-08-07, 最終更新日: 2024-01-24)

主引用文献

Battistutta, R.,Lolli, G.
Inhibitory Properties of ATP-Competitive Coumestrol and Boldine Are Correlated to Different Modulations of CK2 Flexibility.
J.Nat.Prod., 82:1014-1018, 2019

PubMed Abstract: Casein kinase 2 (CK2) is an anti-apoptotic cancer-sustaining protein kinase. Its crystallographic structures with the natural compounds coumestrol, a phytoestrogen, and boldine, an alkaloid, are reported. Coumestrol shows different inhibitory activity against the isolated catalytic α-subunit and the αβ holoenzyme and is able to discriminate between two conformations of the hinge/αD region, whose intrinsic flexibility is a relevant selectivity determinant among kinases. Boldine explores a small cavity at the bottom of the ATP-binding pocket through a local deviation from planarity, a unique case among CK2 inhibitors. The two compounds have different impacts on protein flexibility, which correlate with their different properties.

PubMed: 30840451
DOI: 10.1021/acs.jnatprod.8b00889

実験手法

X-RAY DIFFRACTION (1.65 Å)