About: Root mean square deviation (RMSD) plots throughout 200 ns simulation of of REV and REV-response-element RNA complex PDB: ID 4PMI in green, and complex of HIV-1 RRE-IIB RNA with RSG peptide PDB: ID 1G70 (RSG-1 in red and 1I9F (RSG-2 in black).

4PMI

Probing the mechanism of peptide binding to REV response element RNA of HIV-1; MD simulations and free energy calculations 1

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Details.

Scientist
Nizakat Ali,Ruqaiya KhalilORCID Icon,Mohammad Nur-e-Alam,Sarfaraz Ahmed &Zaheer Ul-Haq
Protein
RSGs peptides PDB: 1G70
Ligand
REV-response-element RNA
Simulation Duration
InChIKey
N/A
SMILES
N/A
Molecular Formula
N/A
Protein Details
"Ribonucleic acid (RNA) of HIV-1 contains a 350 nucleotide, highly structured, cis-acting element called RRE (REV-response-element RNA), essential for virus replication. REV is a natural peptide that binds to RRE and transports it from the nucleus to cytoplasm where it is expressed into a new virus. . The synthetic peptide known as RSG-1.2 also binds the RRE element and competes with REV"
Ligand Details
The HIV-1 Rev response element (RRE) is a ~350 nucleotide, highly structured, cis-acting RNA element essential for viral replication.
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