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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.
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