Bioinformatics
Max-Planck Gesellschaft
Max-Planck-Institut für Multidisziplinäre Naturwissenschaften (Faßberg-Campus)
Fatty acid synthase I is a pivotal metabolic enzyme responsible for the assembly of fatty acids. The multienzyme complex catalyzes an iterative, multi-step, enzymatic reaction. Progression of fatty acid synthesis is determined by the transfer of reaction intermediates between catalytic domains. Although the transfer process is critical to the function of the enzyme complex, it is inherently dynamic and challenging to study experimentally. In this project we use molecular dynamics simulations to determine how the transport process is regulated. We focus on initiation of synthesis in the fungal fatty acid synthase, a well-established model system. This step is critical for fatty acid synthesis, facilitated by a regulatory subunit and requires substantial conformational changes. The project will provide mechanistic insights into the function of this pivotal enzyme complex.