An atlas of RNA base pairs involving modified nucleobases with optimal geometries and accurate energies.

ABSTRACT: Posttranscriptional modifications greatly enhance the chemical information of RNA molecules, contributing to explain the diversity of their structures and functions. A significant fraction of RNA experimental structures available to date present modified nucleobases, with half of them being involved in H-bonding interactions with other bases, i.e. 'modified base pairs'. Herein we present a systematic investigation of modified base pairs, in the context of experimental RNA structures. To this end, we first compiled an atlas of experimentally observed modified base pairs, for which we recorded occurrences and structural context. Then, for each base pair, we selected a representative for subsequent quantum mechanics calculations, to find out its optimal geometry and interaction energy. Our st

SUBMITTER: Chawla M 

PROVIDER: S-EPMC4538814 | biostudies-literature | 2015 Aug

REPOSITORIES: biostudies-literature