Figure 5 - full size


Figure 5.
FIGURE 5. Crystal structure of PTP1B/5. The ortho-Cl substituent of the inhibitor binds in the D site where it participates in VDW interactions with Tyr^46, Ser^216, Asp^181, and Phe^182 and it is only 3.1 and 3.5 Å from one of the sulfone oxygens and the CH of the heterocycle, respectively. The IZD-phenyl template and aryl sulfonamide bind in previously observed conformations, and salicylate binds in the B site where it is in VDW contact with Met^258 and hydrogen bonds to Arg^24 and Arg^254. The linker that spans the A and B sites is well defined in the electron density even though it does not interact extensively with nonpolar residues.

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