Deciphering SHP-2 conformational switching via elastic network models and transfer entropy analysis.

Abstract excerpt

CONTEXT: Src homology 2 domain-containing protein tyrosine phosphatase-2 (SHP-2), a non-receptor protein tyrosine phosphatase encoded by PTPN11, functions as a central regulator of the Ras-MAPK, JAK-STAT, and PI3K-AKT signaling pathways. Its gain-of-function mutations, such as E76K, drive aberrant activation in multiple cancers, making it an attractive therapeutic target. While molecular dynamics simulations have...

Topics

• Protein Tyrosine Phosphatase, Non-Receptor Type 11
• Molecular Dynamics Simulation
• Entropy
• Protein Conformation
• Humans
• Pyrimidines