The hypermodified Y base electrostatic contribution to the energetics of the codon-anticodon pairing in tRNAPhe

Autor:	Elaine Rose Maia, Araken S. Werneck, Marçal de Oliveira Neto
Rok vydání:	1998
Předmět:	Chemistry Guanine Energetics Ab initio Condensed Matter Physics Biochemistry Molecular dynamics Crystallography chemistry.chemical_compound Computational chemistry Pairing Transfer RNA Molecule Physical and Theoretical Chemistry Base (exponentiation)
Zdroj:	Journal of Molecular Structure: THEOCHEM. 427:15-23
ISSN:	0166-1280
DOI:	10.1016/s0166-1280(97)00198-x
Popis:	We report ab initio results at the Hartree-Fock/6–31G level for the energetics of the codon-anticodon pairing in tRNAPhe. We have employed a molecular dynamics protocol in order to relax the studied crystallographic structure. Electrostatic potentials due to the presence of the hypermodified Y base and a guanine base in position 37 of the anticodon loop are compared. The results of the electrostatic potentials on the planes containing the molecules of the complementary codon bases UUC, indicate a strong energetic stabilization when a Y base is present, in comparison to the substitution by a guanine base. The present results provide some molecular data on the energetics of the codon-anticodon pairing mechanism and are related to experimental studies which suggest that hypermodification in tRNAs contribute to the regulation of gene expression.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::d280710a92b408fbeceae13ea447b530 https://doi.org/10.1016/s0166-1280(97)00198-x Zobrazit plný text záznamu Full Text from ScienceDirect