Designed mono- and di-covalent inhibitors trap modeled functional motions for <i>Trypanosoma cruzi</i> proline racemase in crystallography - Fig 5

Projections on the first two Principal Components (PCs), (A) of the whole dimers coordinates and symmetric forms, (B) of chains A or B isolated, and, (C) of the binding pocket of chain A or B. Triangles pointing right/left mark 1W62/its-symmetric or chain A/B. Diamonds mark 1W61; "+", BrOxoPA complex; "x", OxoPA; and "o", NG-P27, respectively. The 49 transition path intermediates are connected by lines and conformations 1, 4, 10 and 49 used for the virtual screening are shown by "*". The 49 intermediates of chain B are connected by dashed lines.