Mikael Akke

Resolving Protein–Ligand Binding Pathways by NMR Relaxation: Conformational Selection vs Induced Fit

Protein–ligand binding is essential for biological function. A long-standing question is whether ligand binding occurs via conformational selection (CS) or induced fit (IF). Using relaxation dispersion experiments with varying ligand concentration, we measured the 4-state binding kinetics encompassing both the CS and IF pathways in galectin-3. We determined the ligand affinity of each pathway, all rate constants and populations, and the relative flux through each pathway — all of which provide a very rich understanding of protein–ligand binding and some surprising results.

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