Figure 6 | Scientific Reports

Figure 6

From: NmrLineGuru: Standalone and User-Friendly GUIs for Fast 1D NMR Lineshape Simulation and Analysis of Multi-State Equilibrium Binding Models

Figure 6The alternative text for this image may have been generated using AI.

Example NMR 15N-1H HSQC chemical shift titration data and comparison of lineshape fitting with the 2-state and 4-state models. (a,b) Overlaid HSQC spectra for the unphosphorylated Syk tSH2 (~0.3 mM) titration with the peptide N-IHP [Ac-PD(pY)EPIRKG-NH2]. Increasing [N-IHP]/[tSH2] ratios correspond to color changes: 0 (red), 0.2 (maroon), 0.6 (orange), 1.0 (yellow), 5.0 (green), 10.1 (cyan), 15.1 (blue), and 20.1 (purple). Zoomed regions with A74 and F106 are shown as examples. The arrows indicate the shift of peaks during the titration process. (c–f) Lineshape analysis for residues A74 and F106 in tSH2 plus N-IHP, with either the conventional 2-state model or the 4-state model. Circles: raw lineshape data. Lines: predicted lineshape with the indicated model (Red: the first titration point with no ligand. Purple: the last titration point with high concentration of ligand). The 4-state model fits well with the NMR data while the 2-state model does not.

Back to article page