Supplementary Figure 2: Details on the structure of the YopO–actin complex.
(a) Analysis of the surface entropy reduction mutations in the final structure. One of the mutations stabilizes a crystal contact. Actin is shown in cyan, the GDI domain in red and the kinase domain in blue, following the color scheme in Fig. 1a. One mutation on YopO (E207Y) interacts with a residue (Y588) on the GDI domain of a symmetry-related molecular complex, and is likely to be basis of the improvement in diffraction quality of the mutant protein crystals.
(b) Conformational changes to the GDI domain. The isolated GDI domain is shown in fawn (PDB: 2H7O), the Rac-bound GDI domain (PDB: 2H7V) is shown in light blue with Rac1 in yellow, and the GDI domain taken from the YopO:actin complex in red. The three GDI domains are superposed, as aligned on the N-terminal GDI subdomain.
(c) Comparison of the structural elements of the kinase domain of YopO (blue) with human PAK4 (PDB code 4FIJ, yellow) and human OSR1 (PDB code 2VWI, gray) (from left to right). The structural elements are colored following the scheme in Supplementary Note Figure 1. The P-loop is disordered in the YopO structure.
(d) Snapshots of the 2Fo-Fc (2σ, gray) experimental electron density omit map for different segments of the kinase domain.
