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Constructing HIV-1 integrase tetramer and exploring influences of metal ions on forming integrase-DNA complex.

Wang LD, Liu CL, Chen WZ, Wang CX

College of Life Science and Bioengineering, Beijing University of Technology, Beijing 100022, China.

HIV-1 integrase (IN) is essential for the replication of HIV-1 in human cells. At present, the complete structure of complex IN-DNA has not been resolved. In this paper, a HIV-1 IN tetramer model was built with homology modeling and molecular dynamics simulation approach, in which two Mg2+ ions were reasonably located in each catalytic core domain. Moreover, it was found that the AB and CD chains of HIV-1 IN tetramer were different in the structures and metal ions of HIV-1 IN tetramer might have great influences on DNA locating on IN. These findings may provide a more complete structural basis for guiding drug discovery and revealing integration mechanism.

Published 3 October 2005 in Biochem Biophys Res Commun, 337(1): 313-9.
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