Figure 6

3D model of the 3D structure of the 8 kDa domain – pamoic acid complex validated by NMR data. a. Electrostatic surface of the 8 kDa domain, with the same orientation as that in Figure 1, illustrating the cavity with the pamoic acid binding site. Blue-colored surface represents positively charged residues and red-colored surface represents the negative ones. Carbon atoms of pamoic acid are colored in cyan and oxygen atoms are colored in red. b. Detailed view of the interaction illustrating the binding of pamoic acid to the 8 kDa domain in its experimentally validated conformation. The distances that allowed the identification of the right conformation are shown. The distance between the amide proton of Ile69 and the pamoic acid Ha proton is 2,27 Å. He and Hd are located at 3,12 Å of Ala42 amide proton and at 4,25 Å of Gly64 HA proton, respectively. The pictures were prepared with PyMOL [48].