2DIR FDH
We use 2D IR to investigate active-site dynamics of Formate Dehydrogenase (FDH) via structurally guided mutagenesis of relevant active-site residues.
The CLS of FDH exhibits oscillations on the ps timescale
FDH CLS
The amplitude of the oscillations increase as mutations create more space in the active site
The amplitude of the frequency fluctuations correlates with donor – acceptor distance
Network residues shown on ribbon diagram of FDH
Hitting time matrix for FDH - Hitting time describes communication efficiency between residues
Predicted network based on hitting times using the elastic network model
We use the Elastic Network Model in our molecular dynamics simulations to interpret our 2D-IR results and to predict how perturbations affect protein motions.
Edge-Pixel Referencing
Edge-Pixel Referencing Suppresses Correlated Baseline Noise in Pump-Probe Spectra