Fig. 4: Crystallographic overlay and comparison of the cGMP binding subdomain with CNB-B, and the CNB-B/SW/CAT.
From: Structural insights into selective small molecule activation of PKG1α
a Overlay of 3SHR (blue) with 7T4T (yellow) and 7SSR (red) on the CNB-B domain. Note the dramatic shift in the switch helix (SW) position in the presence of the catalytic domain (CAT). b Structure of the C-terminal domains of PKG1α 7T4T (CNB-B/SW/CAT + ATP + cGMP), c 7T4U + SMA2. CNB-B is colored blue, SW is colored cyan, and CAT is colored red. d Overlay of (b) and (c) with 7T4U in yellow and 7T4T in blue. Note the residues leading into SW rotate out about 60° before turning back. The SW with SMA2 bound, rotates away from CNB-B by about 20° vs. the orientation found in the cGMP-bound state. e RMSD-Matrices of both the CNB-B and CAT domains demonstrate that each acts as a rigid-body with changes in orientation or presentation relegated to the SW.
