Characterization of Promiscuous Binding of Phosphor Ligands to Breast-Cancer-Gene 1 (BRCA1) C-Terminal (BRCT): Molecular Dynamics, Free Energy, Entropy and Inhibitor Design
Fig 4
Flexibility of active site of BRCT.
(A). Standard deviation of phi and psi angles of the residues of the receptor within 7 Å of ligands during MD simulations. Each residue has one column containing two standard deviation values for the phi angle and psi angle, respectively. (B). Flexible region of the active site. Flexible residues of the protein are shown in a green line representation. Ligand is shown as a blue tube with pSer and Phe (P+3) residues in licorice representation.