Physical quantity of residue electrostatic energy in flavin mononucleotide binding protein dimer

Computational Biology and Chemistry(2018)

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摘要
•The Electrostatic (ES) energy of each residue was first time quantitatively evaluated in flavin mononucleotide binding protein (FBP).•Among all residues, both Arg63 and Glu13 mainly contribute to Sub A–Sub B binding.•The FMN molecule greatly stabilizes the protein structure within a subunit.•The present work reveals that the ES energy not only plays an important role on ET phenomena but also in the protein stabilization in general.
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关键词
Electrostatic energy,FMN,FBP,Protein stabilization,Molecular dynamics simulation
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