Figure 1 - full size

Figure 1.
Figure 1. Structural Ensemble and Sequence Alignment of PD22as(A) Structural ensemble of PDZ2as (stereo diagram); secondary structures are indicated by cyan (b strand) and pink (a helix).(B) Protection of amides from H/D exchange. Amides are depicted as spheres; red spheres indicate amides with high protection factors, orange spheres, those with intermediate protection factors, and yellow spheres represent amide with low protection factors. Gray spheres indicate amides with complete solvent exchange within the experimental dead time of 20 min.(C and D) Structural superposition of PDZ2as (blue) with PDZ2 (red). The orientation of the a2 helices differ by vert, similar 20° (shown as cylinders) while that of the b2 strands remain the same (shown as arrows).(E) PDZ2as (PDB code 1ozi) sequentially aligned with GRIP (1m5z), CASK (1kwa), PSD-95 (1bfe), and DglA (1pdr). The alignments were performed on each domain with a maximal displacement of 7 Å for each pair of C^a atoms and a global RMS limit of 4 Å. Protein regions that are structurally similar to PDZ2as are indicated by underlining. Secondary structures of both PDZ2 and PDZ2as complexes are colored as in (A). The 5 residue insertion is boxed in gray. Numbering schemes are given for PDZ2as (blue) and, for reference, PDZ2 (red).