4AF3

Human Aurora B Kinase in complex with INCENP and VX-680

4AF3 の概要

• エントリーDOI: 10.2210/pdb4af3/pdb
• 分子名称: AURORA KINASE B, INNER CENTROMERE PROTEIN, CYCLOPROPANECARBOXYLIC ACID {4-[4-(4-METHYL-PIPERAZIN-1-YL)-6-(5-METHYL-2H-PYRAZOL-3-YLAMINO)-PYRIMIDIN-2-YLSULFANYL]-PHENYL}-AMIDE, ... (4 entities in total)
• 機能のキーワード: transferase-inhibitor complex, aurkb, transferase/inhibitor
• 由来する生物種: HOMO SAPIENS (HUMAN); 詳細
• 細胞内の位置: Nucleus: Q96GD4 Q9NQS7
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 42400.17

構造登録者

Elkins, J.M.,Vollmar, M.,Wang, J.,Picaud, S.,Arrowsmith, C.H.,Edwards, A.,Bountra, C.,von Delft, F.,Knapp, S. (登録日: 2012-01-16, 公開日: 2012-04-11, 最終更新日: 2023-12-20)

主引用文献

Elkins, J.M.,Santaguida, S.,Musacchio, A.,Knapp, S.
Crystal Structure of Human Aurora B in Complex with Incenp and Vx-680.
J.Med.Chem., 55:7841-, 2012

PubMed Abstract: We present the structure of the human Aurora B kinase domain in complex with the C-terminal Aurora-binding region of human INCENP and the Aurora kinase inhibitor VX-680. The structure unexpectedly reveals a dimeric arrangement of the Aurora B:INCENP complex, which was confirmed to exist in solution by analytical ultracentrifugation. The dimerization involves a domain swap of the activation loop, resulting in a different conformation of the DFG motif as compared to that seen in other kinase complexes with VX-680. The binding of INCENP differs significantly from that seen in the Xenopus laevis Aurora B:INCENP complex currently used as a model for structure-based design for this important oncology target.

PubMed: 22920039
DOI: 10.1021/JM3008954

実験手法

X-RAY DIFFRACTION (2.75 Å)