Identification of putative binding sites of P-glycoprotein based on its homology model.

@article{Globisch2008IdentificationOP,
  title={Identification of putative binding sites of P-glycoprotein based on its homology model.},
  author={Christoph Globisch and Ilza Pajeva and Michael Wiese},
  journal={ChemMedChem},
  year={2008},
  volume={3 2},
  pages={
          280-95
        }
}
A homology model of P-glycoprotein based on the crystal structure of the multidrug transporter Sav1866 is developed, incorporated into a membrane environment, and optimized. The resulting model is analyzed in relation to the functional state and potential binding sites. The comparison of modeled distances to distances reported in experimental studies between particular residues suggests that the model corresponds most closely to the first ATP hydrolysis step of the protein transport cycle… CONTINUE READING
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