A model of the full-length HIV-1 integrase dimer was constructed assembling the experimentally determined structures of the single domains. Subsequently, the three-domain protein-viral DNA complex was generated for the first time through an automated docking algorithm, obtained modifying the ESCHER program, a well-known method for protein-protein docking. A detailed study of the contacts established with DNA by the enzyme revealed that the predicted model reproduced the results of mutagenesis and cross-linking experiments, confirming the validity of our docking approach in predicting the base specificity in the DNA-protein interaction.

Analysis of the full-length integrase DNA complex by a modified approach for DNA docking / L. De Luca, A. Pedretti, G. Vistoli, M.L. Barreca, L. Villa, P. Monforte, A. Chimirri. - In: BIOCHEMICAL AND BIOPHYSICAL RESEARCH COMMUNICATIONS. - ISSN 0006-291X. - 310:4(2003 Oct 31), pp. 1083-1088.

Analysis of the full-length integrase DNA complex by a modified approach for DNA docking

A. Pedretti
Secondo
;
G. Vistoli;L. Villa;
2003

Abstract

A model of the full-length HIV-1 integrase dimer was constructed assembling the experimentally determined structures of the single domains. Subsequently, the three-domain protein-viral DNA complex was generated for the first time through an automated docking algorithm, obtained modifying the ESCHER program, a well-known method for protein-protein docking. A detailed study of the contacts established with DNA by the enzyme revealed that the predicted model reproduced the results of mutagenesis and cross-linking experiments, confirming the validity of our docking approach in predicting the base specificity in the DNA-protein interaction.
HIV-1 integrase ; DNA–protein docking ; Full-length IN–DNA complex
Settore CHIM/08 - Chimica Farmaceutica
31-ott-2003
Article (author)
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/2434/185361
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