Publication details

Elastic properties of ribosomal RNA building blocks: molecular dynamics of the GTPase-associated center rRNA



Year of publication 2007
Type Article in Periodical
Magazine / Source Nucleic Acids Research
MU Faculty or unit

Faculty of Science

Field Physical chemistry and theoretical chemistry
Keywords Molecular Dynamics; RNA Kink Turn; Ribosome; RNA flexibility; RNA building blocks
Description Explicit solvent Molecular Dynamics (MD) was used to describe the intrinsic flexibility of the Helix 42-44 portion of the 23S rRNA (abbreviated as Kt-42+rGAC; Kink-turn 42 and GTPase associated center rRNA). The bottom part of this molecule consists of alternating rigid and flexible segments. The first flexible segment (Hinge1) is the highly anharmonic Kink of Kt-42. The second one (Hinge2) is localized at the junction between Helix 42 and Helices 43/44. The rigid segments are the two arms of Helix 42 flanking the Kink. The whole molecule ends up with compact Helices 43/44 (Head) which appear to be modestly compressed towards the subunit in the H.m. x-ray structure. Overall, the Helix 42-44 rRNA is constructed as a sophisticated intrinsically flexible anisotropic molecular limb. The leading flexibility modes include bending at the hinges and twisting. The Head shows visible internal conformational plasticity, stemming from an intricate set of base pairing patterns including dynamical triads and tetrads. In summary, we demonstrate how rRNA building blocks with contrasting intrinsic flexibilities can form larger architectures with highly specific patterns of preferred low-energy motions and geometries.
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