Probing inhibition mechanisms of adenosine deaminase by using molecular dynamics simulations
Fig 10
Free energy landscape (FEL) and structures of the two most stable structures of the five systems.
The α7 helix is colored cyan; the structural gate is colored cyan, which consist of the α7 helix (T57-A73) and residues A183 to I188. (a) ADA. (b) ADA-FR0 complex. (c) ADA-FR2 complex. (d) ADA-PRH complex. (e) ADA (without PRH).