Workflow from Scientific Research

Strategy for the design of an allosteric site in a protein dimer complex. The non-catalytic subunit (pink) has a pseudo-active site, the function of which (for example, the ability to bind to a small molecule) has been lost during evolution. By computationally restoring the lost function, this pseudo-active site is engineered to be an allosteric site that controls a function of the active site in the catalytic subunit (cyan) upon the small (that is, effector) molecule binding.

DOI