The lowest energy-binding conformation of an inhibitor bound to the dimeric interface of HIV-1 integrase core domain. The yellow region represents a unique allosteric binding site identified by affinity labeling and mass spectrometry and validated through mutagenesis. This site can provide a potential platform for the rational design of inhibitors selective for disruption of integrase multimerization.
Lab/Branch/Program:
Chemical Biology Laboratory
Citation:
See: Discovery of a small-molecule HIV-1 integrase inhibitor-binding site by Laith Q. Al-Mawsawi, Valery Fikkert, Raveendra Dayam, Myriam Witvrouw, Terrence R. Burke, Jr., Christoph H. Borchers and Nouri Neamati in PNAS 2006, 103 (26), 10080-10085.
Published Date:
June, 2006