Figure 3.

Paramagnetic effects utilized for protein-based NMR approaches for SBDD studies. Effects of (a) paramagnetic relaxation enhancement and (b) pseudo-contact shift are illustrated. Paramagnetic center denoted with red sphere is chemically immobilized on the ligand or protein. Black spheres on the protein indicate position of isotopically-labeled moieties. Numbers correspond to each NMR signal. (a) The changes of signal intensity of protein are induced by paramagnetic effect depending on the distance between paramagnetic center and position of isotopically-labeled moieties. (b) The changes of chemical shift of protein depend on the distance between paramagnetic center and position of isotopically-labeled moieties, and at an angle with magnetic field.