Origin of conformational dynamics in a globular protein

摘要

Contribution of individual mutations to exchange. Structures of the DANCER-3 major and minor states (modeled on PDB ID: 5UBS and 5UCF, respectively) and Wild-type Gβ1 (PDB ID: 1PGA) show the side chains of W43 (orange) and core residues at mutated positions (blue or green for DANCER-3 or wild-type Gβ1, respectively). α-helices, β-strands, and loops are colored red, yellow, and gray, respectively, and strand β3 is labeled at its N-terminus. H- N HSQC spectra of selected Gβ1 variants. W43ε minor state peaks identified using ZZ-exchange experiments are shown linked to their corresponding major state peak with a double-sided arrow. Chemical-shift displacements (Δ ) between major and minor state peaks are indicated (N/A = not applicable). Variants were grouped as displaying no exchange, monomer-dimer exchange, or Trp43 conformational exchange, according to the magnitude of their calculated Δ .