Figure 3 - full size

 

Figure 3.
FIGURE 3. Crystal structure of PTP1B/1. The proximal DFMP moiety of 1 (ball-and-stick) binds at the center of the phosphate binding loop (thick bonds); the C-terminal amide and adjacent amide NHs hydrogen bond (dashed lines) to the carboxylate of Asp^48 at the A-C border; the distal amide CO hydrogen bonds to the backbone NH of Arg^47; and the distal DFMP interacts with Lys^41 and Arg^47 in the C site. Estimated contributions to the overall ligand binding affinity for each substituent are also indicated.

The above figure is reprinted by permission from the ASBMB: J Biol Chem (2006, 281, 38013-38021) copyright 2006.