title: Docking dinucleotides to HIV-1 integrase carboxyl-terminal domain to find possible DNA binding sites.
abstract: HIV-1 integrase mediates a processed viral DNA into the host genome DNA. The binding modes between HIV-1 integrase and viral/host DNA have not been clarified until now. The C-terminal domain of integrase has been found to be a DNA-binding domain. In this work, we have explored the possible DNA binding sites of dimeric C-terminal domain by docking dinucleotides to HIV-1 integrase. The docking results suggest that two symmetrical DNA-binding sites are likely located on the outside surface of the dimeric C-terminal domain and not located in the groove. Those sites are in agreement with the experimental data.
authors.affiliation: College of Life Science and Bioengineering, Beijing University of Technology, Beijing 100022, China.
authors.forename: Hai Mei
authors.initials: HM
authors.lastname: Zhu
authors.forename: Wei Zu
authors.initials: WZ
authors.lastname: Chen
authors.forename: Cun Xin
authors.initials: CX
authors.lastname: Wang
mesh_terms: D001665:Binding Sites; D002264:Carboxylic Acids / Q000737:chemistry*; D018360:Crystallography, X-Ray; D004279:DNA, Viral / Q000737:chemistry*; D019281:Dimerization; D019427:HIV Integrase / Q000737:chemistry / Q000378:metabolism*; D019428:HIV Integrase Inhibitors; D015497:HIV-1 / Q000201:enzymology*; D008958:Models, Molecular; D009711:Nucleotides / Q000737:chemistry / Q000378:metabolism*; D017434:Protein Structure, Tertiary
chemical_list: D002264:Carboxylic Acids; D004279:DNA, Viral; D019428:HIV Integrase Inhibitors; D009711:Nucleotides; D019427:HIV Integrase