Figure 5.
Structure of dfbp-o bound to cNTnC•cTnI144–163. For all representations of cNTnC•cTnI144–163•dfbp-o the backbone atoms for cNTnC are colored in grey and in orange for cTnI144–163; dfbp-o is shown in stick representation with its carbon atoms colored in magenta, oxygen in red, and fluorine in aqua; and Ca2+ is shown as a black sphere. (A) Cartoon representation of the lowest energy structure of cNTnC•cTnI144–163•dfbp-o. (B) The structure of cNTnC•cTnI144–163•dfbp-o with cNTnC shown as a surface and cTnI144–163 shown as a mesh. (C) Overlay of cNTnC•cTnI144–163•dfbp-o with the X-ray crystal structure cNTnC•cTnI144–163 (blue; 1j1d.pdb) and the NMR structure cNTnC•cTnI147–163 (green; 1mxl.pdb). (D) Overlay of cNTnC•cTnI144–163•dfbp-o with cNTnC•dfbp-o (forest green; predicted by AutoDock). The docked version of dfbp-o is colored in slate, and the dfbp-o from the NMR structure is shown in magenta.