Abstract
Modified nucleic acid bases are most commonly found in tRNA. These may contain modifications from simple methylation to addition of bulky groups. Methylation of the four canonical nucleotide bases at a wide variety of positions is particularly prominent among the known modification. Methylation of N2 group of guanine is a relatively common modification in tRNA and rRNA. N2-methylguanosine (m2G) is the second most often encountered nucleoside in E. coli tRNAs. N2, N2-dimethylguanosine (m22G) is found in the majority of eukaryotic tRNAs and involved in forming base pair interactions with adjacent bases. Hence, in order to understand the structural significance of these methylated nucleic acid bases we have carried out molecular dynamics simulation to see the salvation effect. The results obtained shows iso-energetic conformational behaviors for m2G and m22G. The simulation trajectory of m2G shows regular periodical fluctuations suggesting that m2G is equally stable as either s-cis or s-trans rotamers. The two rotamers of m2G may interact canonically or non-canonically with opposite base as s-trans m2G26:C/A/U44 and s-cis m2G26:A/U44. The free rotations around the C-N bond could be the possible reason for these iso-energetic conformations. Dimethylation of G has almost no influence on base pairing with either A or U. Thus, these results reveal that modified nucleosides m2G and m22G may play an important role to prevent tRNA from adopting the unusual mitochondrial like conformation.
Highlights
RNA molecules undergo extensive post-transcriptionalExperimentally, it has been found that level of certain modified modifications that are important for their biological activities
In the maturation tRNAPhe provide evidence to support the notation that m22G26 process of tRNA, transfer of methyl group occurs at polynucleotide has a significant role in regulating the stacking and conformational level through an S-adenosyl-L-methionine donor, resulting in dynamics of this region of tRNA molecule [10]
The (m22G26) methyltransferase is dependent on the D-stem sequence and family of structurally related nucleosides m2G, m22G, m2Gm and size of variable loop for the synthesis of N2-N2 dimethyl guanosine at m22Gm, are from known archaeal tRNA sequences
Summary
RNA molecules undergo extensive post-transcriptionalExperimentally, it has been found that level of certain modified modifications that are important for their biological activities. Similar kind of s-trans orientation for m2G has been order to highlight the influence of explicit solvation on the observed in our earlier conformational study [18] along with crystal conformation of modified nucleosides N2-methylguanosine (m2G) conformer of m2G10 [33], where it forms Watson-Crick base pairing and N2-N2 dimethyl guanosine (m22G).
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More From: Computational and Structural Biotechnology Journal
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