Chromophore Structure of Cyanobacterial Phytochrome Cph1 in the Pr State: Reconciling Structural and Spectroscopic Data by QM/MM Calculations

A quantum mechanics (QM)/molecular mechanics (MM) hybrid method was applied to the Pr state of the cyanobacterial phytochrome Cph1 to calculate the Raman spectra of the bound PCB cofactor. Two QM/MM models were derived from the atomic coordinates of the crystal structure. The models differed in the...

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Dades bibliogràfiques
Autors principals: Mroginski, Maria Andrea, von Stetten, David, Escobar, Francisco Velazquez, Strauss, Holger M., Kaminski, Steve, Scheerer, Patrick, Günther, Mina, Murgida, Daniel H., Schmieder, Peter, Bongards, Christian, Gärtner, Wolfgang, Mailliet, Jo, Hughes, Jon, Essen, Lars-Oliver, Hildebrandt, Peter
Format: Artigo
Idioma:Inglês
Publicat: The Biophysical Society 2009
Matèries:
Photobiophysics
Accés en línia:https://ncbi.nlm.nih.gov/pmc/articles/PMC2712200/
https://ncbi.nlm.nih.gov/pubmed/19450486
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1016/j.bpj.2009.02.029
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