Redox potential control and electron-proton coupling in cytochromes
Redox potential control and electron-proton coupling in cytochromes
The way proteins control the redox potential of their redox groups and electron-proton coupling are questions that are being investigated using several techniques, namely continuum electrostatic calculations (with Metropolis Monte Carlo to account for the sampling of states).
Cytochrome c3 on a C11 SAM (self-assembled monolayer) (collaboration with the Lab of Peter Hildenbrandt: Rivas et al. (2005) Biophys.J., 88, 4188-4199.)
pKa1/2 calculations of all titrable groups in the small tetrahaem cytochrome from Shewanella oneidensis MR-1 (Collaboration with the Lab of Ricardo Louro: Fonseca et al. (2009), JBIC, 14, 375-385)
Recent relevant publications:
Rivas, L, Soares, CM, Baptista, AM, Simaan, J, Di Paolo, R, Murgida, DH, Hildebrandt, P (2005) “Electric-field induced redox potential shifts of tetraheme cytochromes c3 immobilised on self-assembled monolayers studied by surface enhanced resonance Raman spectroscopy and simulation studies”, Biophys.J., 88, 4188-4199.
Teixeira, VH, Cunha, CA, Machuqueiro, M, Oliveira, ASF, Victor, BL, Soares, CM, Baptista, AM (2005) “On the use of different dielectric constants for intrinsic and pairwise term in Poisson-Boltzmann studies of protein ionisation equilibrium.”, J.Phys.Chem.B, 109, 14691-14706.
Oliveira, ASF, Teixeira, VH, Baptista, AM, Soares, CM (2005) “Reorganization and conformational changes in the reduction of tetrahaem cytochromes.”, Biophys. J., 89, 3919-3930.
Fonseca, BM, Saraiva, IH, Paquete, CM, Soares, CM, Pacheco, I, Salgueiro, CA, Louro, RO (2009) “The small tetrahaem cytochrome from Shewanella oneidensis MR-1 shows thermodynamic bias for functional specificity of the different haems”, JBIC, 14, 375-385
Soares, CM, Baptista, AM (2012) “Simulation of multihaem cytochromes”, FEBS Lett., 586, 510-518
