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Tai-Sung Lee, Wanlong Ma, Xi Zhang, Francis Giles, Hagop Kantarjian and Maher Albitar Mechanisms of constitutive activation of Janus kinase 2-V617F revealed at the atomic level through molecular dynamics simulations Cancer 115

Article first published online: 4 FEB 2009 | DOI: 10.1002/cncr.24183

Molecular simulations on the wild-type and the valine-to-phenylalanine mutation at amino acid 617 (V617F) of the entire Janus kinase 2 (JAK2) assembly were performed, and a possible detailed mutational mechanism of V617F was revealed. The simulation results suggested that, in the V617F mutant, F617 residue forms strong interaction with F595, resulting in blocking key interactions in the JH1/JH2 interface and activating the JH1 domain.

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