Article
Mechanism of recognition of compounds of diverse structures by the multidrug efflux pump AcrB of Escherichia coli.
Proceedings of the National Academy of Sciences of the United States of America - 13 Apr 2010
Takatsuka Yumiko, Chen Cheng, Nikaido Hiroshi
Abstract excerpt
The AcrB trimeric multidrug efflux transporter of Escherichia coli pumps out a very wide spectrum of compounds. Although minocycline and doxorubicin have been cocrystallized within the large binding pocket in the periplasmic domain of the binding protomer, nothing is known about the binding of many other ligands to this protein. We used computer docking to evaluate the interaction of about 30 compounds with the...
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