Controlling PCET and Radical Transformations in enzyme catalysis (B04)

• Subject Area: Biochemistry ; Structural Biology ; Theoretical Chemistry: Electronic Structure, Dynamics, Simulation
• Term: since 2024
• Project identifier: Deutsche Forschungsgemeinschaft (DFG) - Project number 510228793

B04 aims to decipher fundamental principles of long-range PCET (through space vs through bonds) and the selective coupling of oxidative and reductive multi-step PCET by pyruvate oxidase as biological model system. The structural basis of the PCET kinetics and thermodynamics within the wild-type enzyme and variants will be elucidated by use of (time-resolved) structural and spectroscopic methods (X-ray crystallography, cryo-EM, EPR spectroscopy), as well as complementary QM/MM simulations to identify the prerequisites for selective biological radical catalysis. B04 collaborates with B01/B02/B05 (theory), B02 (EPR spectroscopy), and C05 (bioelectrochemistry).

• DFG Programme: Collaborative Research Centres
• Subproject of: SFB 1633: Pushing Electrons with Protons – Unifying Multi-Electron Redox Catalysis by Proton-Coupled Electron Transfer
• Applicant Institution: Georg-August-Universität Göttingen
• Project Heads: Professor Dr. Ricardo Mata; Professor Dr. Kai Tittmann