Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
10769393 | Biochemical and Biophysical Research Communications | 2005 | 7 Pages |
Abstract
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.
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Authors
Li-Dong Wang, Chun-Li Liu, Wei-Zu Chen, Cun-Xin Wang,