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. 2021 Apr 23;1(5):646–659. doi: 10.1021/jacsau.1c00054

Figure 4.

Figure 4

Interaction between R112 and T177 in loop open form of WT PTP1B is lost in the loop-closed form and in PTP1B T177G. The guanidinium side chain forms a hydrogen bond in the loop-open form, while the side chain rotates away from the WPD-loop in the closed form. The side chain conformation of E186 is uncertain in the crystal structure of ligand-free PTP1B T177G (this work). Vanadate-bound WT PTP1B (PDB ID: 3I80(10)) and ligand-free WT PTP1B (PDB ID: 2CM2(15)) are previously reported structures. The positions of G177 in PTP1B structures are marked by the star symbols.