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摘要:
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. (c) 2005 Elsevier Inc. All rights reserved.
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来源 :
BIOCHEMICAL AND BIOPHYSICAL RESEARCH COMMUNICATIONS
ISSN: 0006-291X
年份: 2005
期: 1
卷: 337
页码: 313-319
3 . 1 0 0
JCR@2022
ESI学科: BIOLOGY & BIOCHEMISTRY;
JCR分区:2
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