Discover the Binding Domain of Transmembrane Proteins Based on Structural Universality

Transmembrane proteins (TMPs) serve as drug targets for more than half of the drugs currently available in the market. However, it had not been clearly explained how they realize their drug effects through multiple complex molecules bindings actions. Research into TMPs bindings and corresponding structural basis will provide key information for drug research and new drug development. In this study, we defined the binding domain of TMPs according to the binding region investigation of multiple conjugate types. A 3D deep learning model was architected to discover the structural universality inside those domains. The experimental results proved such binding domains existing on the surface of TMPs, and they are structural specific distinguishing to the surface regions without any binding activities. This work provides a new theoretical basis for TMPs binding research and can greatly boost the development of the drug industry.