Figure 8.

PyMol cartoons of LA1011 bound to Hsp90. (A) Surface representation of Hsp90α C-terminal and middle domain regions with LA1011 (yellow sticks) bound at the interface of the two Hsp90 protomers. The protomers of Hsp90 are green-magenta and cyan-gold, respectively. (B) PyMol cartoon representation showing the C-terminal and middle domain residues that were identified as potentially interacting residues with LA1011 through molecular dynamics simulations (residue numbers are for Hsp90α). LA1011, yellow sticks; cyan residues, C–terminus and middle domain of Hsp90 protomer 1 and green residues, C–terminus and middle domains of Hsp90 protomer 2. Blue dashes, potential hydrogen bonds.