THE HYPERMODIFIED Y-BASE ELECTROSTATIC CONTRIBUTION TO THE ENERGETICSOF THE CODON-ANTICODON PAIRING IN TRNA(PHE)

Citation
As. Werneck et al., THE HYPERMODIFIED Y-BASE ELECTROSTATIC CONTRIBUTION TO THE ENERGETICSOF THE CODON-ANTICODON PAIRING IN TRNA(PHE), Journal of molecular structure. Theochem, 427, 1998, pp. 15-23
Citations number
31
Categorie Soggetti
Chemistry Physical
ISSN journal
01661280
Volume
427
Year of publication
1998
Pages
15 - 23
Database
ISI
SICI code
0166-1280(1998)427:<15:THYECT>2.0.ZU;2-V
Abstract
We report ab initio results at the Hartree-Fock/6-31G level for the en ergetics of the codon-anticodon pairing in tRNA(Phe). We have employed a molecular dynamics protocol in order to relax the studied crystallo graphic structure. Electrostatic potentials due to the presence of the hypermodified Y base and a guanine base in position 37 of the anticod on loop are compared. The results of the electrostatic potentials on t he planes containing the molecules of the complementary codon bases UU C, indicate a strong energetic stabilization when a Y base is present, in comparison to the substitution by a guanine base. The present resu lts provide some molecular data on the energetics of the codon-anticod on pairing mechanism and are related to experimental studies which sug gest that hypermodification in tRNAs contribute to the regulation of g ene expression. (C) 1998 Elsevier Science B.V.