Design of fMet-tRNA and Calculation of its Bonding Properties by Quantum Mechanics
      
Yazarlar (3)
Makale Türü Özgün Makale (SSCI, AHCI, SCI, SCI-Exp dergilerinde yayınlanan tam makale)
Dergi Adı Nucleosides Nucleotides and Nucleic Acids (Q4)
Dergi ISSN 1525-7770 Wos Dergi Scopus Dergi
Dergi Tarandığı Indeksler SCI-Expanded
Makale Dili İngilizce Basım Tarihi 09-2010
Cilt / Sayı / Sayfa 29 / 9 / 676–683 DOI 10.1080/15257771003781642
Makale Linki http://dx.doi.org/10.1080/15257771003781642
Özet
It is generally accepted that initiation of protein synthesis in Escherichia coli starts with formyl-methionine, directed by the codons of AUG or GUG. In one case, reinitiating on the mRNA of amber mutants of UUG is used as the initiation codon. Early studies indeed showed that the triplets AUG, GUG, and UUG are the most effective in stimulating fMet-tRNA binding to ribosomes in vitro. We study the bonding properties of fMet-tRNA. The structure was optimized at the Hartree-Fock (HF) level of theory. We performed nonempirical quantum mechanical calculations at the HF and BLYP and B3LYP/3-21G, 6-31G, and 6-31G* levels of theory in the gas phase and water solvent at temperature of 310 K. Finally, we employed the density functional theory (DFT) and HF to calculate nuclear magnetic resonance spectra and infrared spectra. © Taylor and Francis Group, LLC.
Anahtar Kelimeler
density functional theory (DFT) | Formyl methionine-tRNA (fMet-tRNA) | Hartree-Fock (HF)