Modeling spectral tuning in monomeric teal fluorescent protein mTFP1.
We present results of theoretical studies of the variants of the monomeric teal fluorescent protein from Clavularia coral (mTFP1) which present promising members from the GFP family. Predictions of quantum chemical approaches including density functional theory and semiempirical approximations are presented for the model systems which mimic the chromophores in different environments. We describe the excitation energy spectrum of the cyan mTFP1 fluorescent protein with the original chromophore and with chromophore mutants Tyr67His and Tyr67Trp.
Topol
Igor
I
Advanced Biomedical Computing Center, Information Systems Program, SAIC-Frederick Inc., NCI-Frederick, Frederick, MD 21702-1201, USA. topoli@mail.nih.gov
Collins
Jack
J
Nemukhin
Alexander
A
D019943:Amino Acid Substitution; D003198:Computer Simulation; D049452:Green Fluorescent Proteins / Q000737:chemistry* / Q000235:genetics / Q000378:metabolism; D008958:Models, Molecular; D016297:Mutagenesis, Site-Directed; D017434:Protein Structure, Tertiary; D011789:Quantum Theory
D049452:Green Fluorescent Proteins