Figure 4
FLEXR reveals flexibility across KRAS-G12D. (a) Applying FLEXR to the KRAS-G12D structure (8txg, resolution 1.5 Å) revealed flexible sites along the Switch I and P-loop regions and adjacent to the Switch II region. This image was rendered in PyMOL (Schrödinger, New York). (b) Cys118 is an example of an alternative conformation that was present in the deposited model and reproduced by FLEXR. Examples of new conformational states include (c) Lys42, (d) Ser136, (e) Asp105 and (f) Lys5. Arrows in (d) and (e) indicate backbone conformational heterogeneity discovered by FLEXR. Fo − Fc maps are shown as green and red mesh and are contoured at ±3σ, respectively. 2Fo − Fc maps are shown as dark blue mesh and are contoured at 1σ. Maps shown here were calculated from the deposited model as provided by PDBe. Maps calculated from the refined FLEXR model are shown in Fig. S1. |