Fig. 8: Molecular dynamics simulations. | Oncogenesis

Fig. 8: Molecular dynamics simulations.

From: EPHA2 mutations with oncogenic characteristics in squamous cell lung cancer and malignant pleural mesothelioma

Fig. 8

a The crystal structure of EphA2 in the auto-inhibited conformation. The distance between Y772 and K702 shown by dotted line is 20.3 Å, b The EphA2 conformation after MD simulations showing the minimum distance between Y772 and K702 which is 3.4 Å, c The distribution of the distance between Y772 and K702 in the wild type and mutants A859D and T647M, d The surface showing the ATP binding site in EphA2, and e The distribution of the volume in (Å3) of the ATP-binding site for the wild type and the two mutants calculated from the snapshots of the MD simulations

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