title: Estimating orientation factors in the FRET theory of fluorescent proteins: the TagRFP-KFP pair and beyond.
abstract: The orientation factor κ(2), one of the key parameters defining Förster resonance energy transfer efficiency, is determined by the transition dipole moment orientations of the donor and acceptor species. Using the results of quantum chemical and quantum mechanical/molecular mechanical calculations for the chromophore-containing pockets in selected colored proteins of the green fluorescent protein family, we derived transition dipole moments corresponding to the S0,min → S1 excitation for green fluorescent protein, red fluorescent protein (TagRFP), and kindling fluorescent protein, and the S1,min → S0 emission for TagRFP. These data allowed us to estimate κ(2) values for the TagRFP-linker-kindling fluorescent protein tetrameric complex required for constructing novel sensors.
authors.affiliation: Department of Chemistry, Lomonosov Moscow State University, Moscow, Russian Federation.
authors.forename: Maria
authors.initials: M
authors.lastname: Khrenova
authors.affiliation: Advanced Biomedical Computing Center, Information Systems Program, Leidos Biomedical Research, Inc., Frederick National Laboratory for Cancer Research, Frederick, Maryland. Electronic address: igor.topol@fnlcr.nih.gov.
authors.forename: Igor
authors.initials: I
authors.lastname: Topol
authors.affiliation: Advanced Biomedical Computing Center, Information Systems Program, Leidos Biomedical Research, Inc., Frederick National Laboratory for Cancer Research, Frederick, Maryland.
authors.forename: Jack
authors.initials: J
authors.lastname: Collins
authors.affiliation: Department of Chemistry, Lomonosov Moscow State University, Moscow, Russian Federation; Emanuel Institute of Biochemical Physics, Moscow, Russian Federation.
authors.forename: Alexander
authors.initials: A
authors.lastname: Nemukhin
mesh_terms: D019281:Dimerization; D031541:Fluorescence Resonance Energy Transfer / Q000379:methods; D008164:Luminescent Proteins / Q000737:chemistry*; D008958:Models, Molecular; D011487:Protein Conformation; D011789:Quantum Theory
chemical_list: D008164:Luminescent Proteins