Harnessing Conformational Dynamics and Computational Design to Generate Novel Enzymes

Mar 06 2023
1:00 pm - 2:00 pm

Event Format: Online Only (Zoom Access)

abstract: Understanding how new enzyme functions evolve, either on existing scaffolds, or
completely de novo on previously non-catalytic scaffolds, is of great interest both from a
fundamental biochemistry perspective, and from a biotechnological perspective. Several
hypotheses have been put forward to rationalize enzyme evolution, one of which is that
their conformational dynamics play an important role in facilitating the emergence of new
enzyme functions. My team and I have invested substantial research effort into
understanding enzyme multifunctionality in catalytically promiscuous enzymes, as well as
the structure-function-dynamics relationships shaping the evolution of new enzyme
functions, in both natural and engineered active sites. In this talk, I will discuss recent
progress in this area, and illustrate how we have engineered conformational dynamics to
generate a de novo active site capable of catalyzing a non-natural reaction, and then
subsequently enhanced this activity using a simple computational approach, reaching
catalytic efficiency approaching that of naturally occurring enzymes.

Mar 06 2023
1:00 pm - 2:00 pm


Rutgers E·Nig·Ma