Structural insight into human CK2alpha in complex with the potent inhibitor ellagic acid.
We determined the 2.35-A crystal structure of a human CK2 catalytic subunit (referred to as CK2alpha complexed with the ATP-competitive, potent CK2 inhibitor ellagic acid. The inhibitor binds to CK2alpha with a novel binding mode, including water-mediated hydrogen bonds. This structural information may support discovery of potent CK2 inhibitors.
Graduate School of Science, Osaka Prefecture University, Sakai, Osaka, Japan.
Yusuke
Y
Sekiguchi
Tetsuko
T
Nakaniwa
Takayoshi
T
Kinoshita
Isao
I
Nakanishi
Kazuo
K
Kitaura
Akira
A
Hirasawa
Gozoh
G
Tsujimoto
Toshiji
T
Tada
D000255:Adenosine Triphosphate / Q000737:chemistry; D001665:Binding Sites; D047390:Casein Kinase II / Q000037:antagonists & inhibitors* / Q000737:chemistry* / Q000378:metabolism; D020134:Catalytic Domain; D018360:Crystallography, X-Ray; D004610:Ellagic Acid / Q000737:chemistry*; D004791:Enzyme Inhibitors / Q000737:chemistry*; D006801:Humans; D017434:Protein Structure, Tertiary
D004791:Enzyme Inhibitors; D004610:Ellagic Acid; D000255:Adenosine Triphosphate; D047390:Casein Kinase II