Computational studies of orange carotenoid protein (OCP) families
Computational studies of the orange carotenoid protein (OCP) families, combining comparative modeling and molecular dynamics simulation
Computational studies of the orange carotenoid protein (OCP) families, combining comparative modeling and molecular dynamics simulation
Cyanobacteria photoprotective mechanisms include the non-photochemical quenching (NPQ) of the phycobilisome fluorescence.
- Carotenoid binding proteins (CBP) interact with the phycobilisome and inhibit the fluorescence in ways of heat dissipation.
- Diversity of these CBP includes the orange carotenoid protein (OCP). Upon photoexcitation, OCP converts from the orange state (OCPO) to the red state (OCPR).
- We are developing homology models of the red state of GlOCP1 and its mutant, OCP from Gloeocapsa sp. PCC 7513, using the x-ray crystal structure of SyOCP1.
- 3D structures of SyOCP1R and GlOCP1R (left), GlOCP1R and GlOCP1R V40I (right)
Future Direction
Future Direction
- Calculation of absorption spectra based on major clusters of GlOCP1R and GlOCP1R V40I, and comparison with the sample mean and experimental result
- Clustering the ligand to analyze the structure difference according to the calculated previous absorption spectra
- Molecular dynamics simulation while lowering the temperature to find the proper protein structure