IsPadCPG monomerZ structure and conformational dynamics.
A, crystal structure of the IsPadCPG monomerZ showing the two molecules of the asymmetric unit. NTS region, PAS, and GAF domains are colored gray, purple, and blue, respectively. 15Z BV is represented as sticks and colored light blue. B, close-up view of the BV-binding pocket corresponding to the Pr conformation. The 2Fo − Fc electron density map contoured at 1σ around the chromophore is shown as gray mesh. Important residues defining the Pr environment of the chromophore are highlighted in stick representation. C, changes in conformational dynamics upon PAS–GAF truncation of IsPadC evaluated by HDX-MS. The structure is colored according to the changes in relative deuterium incorporation (ΔDrel) between the IsPadC dark state and the IsPadCPG monomerZ dark state after 45 s of deuteration. The changes in ΔDrel are indicated by the scale on the left side with blue corresponding to reduced deuterium incorporation and red reflecting the increased exchange of amide protons. 15Z BV is represented as sticks and colored light blue.