A Jump-from-Cavity Pyrophosphate Ion Release Assisted by a Key Lysine Residue in T7 RNA Polymerase Transcription Elongation
Fig 4
The O-helix rotation detected in microsecond MD simulations.
(A) The rotation angles of the O-helix were measured from simulation (i), (ii) and (iii), and are shown in blue, green, and red, respectively. (B) The molecular snapshot view of the O-helix (green) taken from the unperturbed simulation (i). The initial closed form of the O-helix is also shown (cyan). (C and D) The molecular snapshots taken from the off-charge simulation (ii) and the no PPi simulation (iii), respectively, with the O-helix shown as in (B).