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. 2020 Sep 28;119(9):1833–1848. doi: 10.1016/j.bpj.2020.09.019

Figure 2.

Figure 2

Orthosteric and allosteric changes upon adenosine binding. (A) Deuterium exchange difference plot (deuterons versus peptic cleavage peptides represented from the N- to C-terminus) comparing differences in deuterium exchange between adenosine-bound and apo PDK1 at different deuterium exchange time points, as indicated in key. Each difference value is an average of three replicates, with standard errors for each peptide plotted as a gray curve along the y = 0 line. Peptides spanning residues lining the ATP-pocket (“O”) and PIF-pocket (“A”) are boxed brown and green, respectively. (B–D) Semilog deuterium uptake plots (deuterons exchanged with time (minutes)) for selected peptides spanning residues lining the ATP-pocket for apo (red) and adenosine-bound (black) PDK1. (E–G) Deuterium exchange differences between adenosine-bound and apo-PDK1 at t = 1, 10, and 100 min, respectively, mapped to the structure of PDK1-ATP-PS48 complex (PDB: 3HRF). Decreased and increased exchange are indicated in gradients of blue and red, as per key. See also Fig. S2; Tables S1 and S3. To see this figure in color, go online.