2004 Student Research Conference:
17th Annual Student Research Conference

Science

Molecular Dynamics Simulations of the Rev-RRE Complex
Kimberly J. Kennett
Dr. Maria Nagan, Faculty Mentor

Translation of viral messenger RNA (mRNA) encoded by the genome of human immunodeficiency virus type-1 (HIV-1) originally produces viral regulatory proteins, such as rev. Rev protein recognition of a sequence of mRNA called the rev response element (RRE) serves as a switch for shuttling unspliced and singly spliced viral mRNA into the cytosol of the host cell. Without this protein-RNA interaction, most viral mRNA cannot be translated. Nuclear magnetic resonance (NMR) spectroscopy structures have already characterized the structure of the rev-RRE complex. Molecular dynamics (MD) simulations of the rev-RRE complex have been acquired starting from three different NMR structures (Battiste, J.L., et al. (1996) Science, 273, 1547). The root mean square displacement (RMSD) from starting and average structures have shown that the MD simulations have reached equilibrium, thus allowing for accurate analysis of the occurrence and duration of interactions between arginine side chains of rev and the RRE.

Keywords: molecular dynamics, rev, rev response element, biochemistry, HIV

Topic(s):Chemistry

Presentation Type: Poster

Session: 26-29
Location: OP Lobby & Atrium
Time: 1:15

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