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. Author manuscript; available in PMC: 2021 Apr 20.
Published in final edited form as: Structure. 2020 Feb 10;28(4):465–474.e5. doi: 10.1016/j.str.2020.01.010

Figure 2. Putative Active Conformation of PI3Kα Obtained from Molecular Simulation.

Figure 2.

A conformation from the simulation in which the nSH2 domain was absent is shown. Distances between the ATP PG, di-C4 PIP2, and other important active-site residues are labeled. The Nϵ H936 is only 4.1 Å away from the diC4 PIP2 O3. Mg2+ ions are represented by gray spheres.