(
A–B)
15N-
1H HSQC spectra of the isolated PH domain (black) in the absence and in the presence of kinase domain (A, red) or IP6 (B, red). Select residue-specific assignments are shown, color coded according to (
C). (
C) Cartoon representation of secondary structure elements (rectangle for β-strands, zigzag for α-helices) in Akt PH domain. Color coding represents regions with distinct binding modes to the kinase domain. Star indicates that the α-helix is present only when Akt is bound to IP4. (
D–E) Combined chemical shift perturbations derived from spectra in (
A–B) and plotted along the PH domain primary sequence for PH domain in the presence of kinase domain (
D) or IP6 (
E), respectively, referenced to the isolated PH domain. Dashed red line corresponds to the standard deviation to the mean, excluding outliers (higher than 3xStDev). Grey bars indicate peaks that disappeared from the spectrum, also indicating strong interaction. Red area highlights the short hinge primarily studied here. Negative bars indicate non-assigned residues. (
F–G) Crystal structures of the isolated PH domain (F, PDB:1UNP) and IP4-bound PH domain (G, PDB: 1UNQ) (
Milburn et al., 2003). IP4 is shown in magenta. The short hinge shown in red is folded as a short α-helix. (
H) Structure of allosteric drug-inhibited Akt (PDB:3O96, [
Wu et al., 2010]) with PH domain as a ribbon cartoon and the kinase domain as a surface representation (purple). The allosteric inhibitor MK2206 is displayed in white. It is evident that IP4 and the kinase domain partially overlap in their interactions with the PH domain.