[Analysis of contact interfaces of HIV reverse transcriptase subunits].
Analysis of structure and features of subunit contact areas of reverse transcriptase (RT) HIV was done. The amino acid residues from contact areas of RT subunits are more conservative than the rest residues of the protein. Estimation of contribution of the amino acid residues from contact areas in binding energy of subunits showed that binding energy is mostly localized on the several amino acid residues of the dimer interface (hot spots). The majority of these hot spots form several clusters on contact surfaces. Analysis of these clusters allows to predict the region on the contact area of protein dimer that can be useful for design the inhibitors of dimerization of RT HIV.
Belov
D A
DA
Veselovskiĭ
A V
AV
D000596:Amino Acids / Q000737:chemistry; D001665:Binding Sites; D003198:Computer Simulation; D019281:Dimerization; D054303:HIV Reverse Transcriptase / Q000737:chemistry*; D008958:Models, Molecular; D021122:Protein Subunits / Q000737:chemistry*
D000596:Amino Acids; D021122:Protein Subunits; D054303:HIV Reverse Transcriptase