Molecular Biophysics Unit, Indian Institute of Science, Bangalore 560 012, India.
Biochemistry. 2011 Nov 22;50(46):10114-25. doi: 10.1021/bi201092q. Epub 2011 Oct 27.
The coordinated activity of protein tyrosine phosphatases (PTPs) is crucial for the initiation, modulation, and termination of diverse cellular processes. The catalytic activity of this protein depends on a nucleophilic cysteine at the active site that mediates the hydrolysis of the incoming phosphotyrosine substrate. While the role of conserved residues in the catalytic mechanism of PTPs has been extensively examined, the diversity in the mechanisms of substrate recognition and modulation of catalytic activity suggests that other, less conserved sequence and structural features could contribute to this process. Here we describe the crystal structures of Drosophila melanogaster PTP10D in the apo form as well as in a complex with a substrate peptide and an inhibitor. These studies reveal the role of aromatic ring stacking interactions at the boundary of the active site of PTPs in mediating substrate recruitment. We note that phenylalanine 76, of the so-called KNRY loop, is crucial for orienting the phosphotyrosine residue toward the nucleophilic cysteine. Mutation of phenylalanine 76 to leucine results in a 60-fold decrease in the catalytic efficiency of the enzyme. Fluorescence measurements with a competitive inhibitor, p-nitrocatechol sulfate, suggest that Phe76 also influences the formation of the enzyme-substrate intermediate. The structural and biochemical data for PTP10D thus highlight the role of relatively less conserved residues in PTP domains in both substrate recruitment and modulation of reaction kinetics.
蛋白质酪氨酸磷酸酶(PTPs)的协调活性对于多种细胞过程的启动、调节和终止至关重要。该蛋白的催化活性取决于活性位点的亲核半胱氨酸,该半胱氨酸介导进入的磷酸酪氨酸底物的水解。虽然 PTP 催化机制中保守残基的作用已被广泛研究,但底物识别和催化活性调节机制的多样性表明,其他不太保守的序列和结构特征可能有助于这一过程。在这里,我们描述了黑腹果蝇 PTP10D 在apo 形式以及与底物肽和抑制剂复合物中的晶体结构。这些研究揭示了 PTPs 活性位点边界处的芳环堆积相互作用在介导底物募集中的作用。我们注意到,所谓 KNRY 环中的苯丙氨酸 76 对于将磷酸酪氨酸残基定向朝向亲核半胱氨酸至关重要。将苯丙氨酸 76 突变为亮氨酸会导致酶的催化效率降低 60 倍。与竞争性抑制剂对硝基邻苯二酚硫酸盐的荧光测量表明,苯丙氨酸 76 也会影响酶-底物中间产物的形成。因此,PTP10D 的结构和生化数据突出了相对不太保守的残基在 PTP 结构域中对底物募集和反应动力学调节的作用。