Supplementary Materials

Mechanism of Voltage Gating in Potassium Channels

Morten Ø. Jensen, Vishwanath Jogini, David W. Borhani, Abba E. Leffler, Ron O. Dror, David E. Shaw

Materials/Methods, Supporting Text, Tables, Figures, and/or References

Download Supplement
  • Materials and Methods
  • Figs. S1 to S5
  • Tables S1 to S4
  • References

Images, Video, and Other Other Media

Movie S1
Channel closure, intracellular view; only the protein is shown. VSD helices S1-S3a, green; VSD helices S3b-S4 ("paddle"), red; VSD-pore (S4-S5) linker helix, orange; pore domain, white; Pro405-Val406-Pro407 ("PVP motif") pore constriction, blue. The T1 domain (present in the simulation) is not shown. (The movie spans the entire trajectory of simulation 9, Table S1.)
Movie S2
Channel closure, extracellular view. Colors as in Movie S1. The T1 domain in the background is colored green. (The movie spans the entire trajectory of simulation 9, Table S1.)
Movie S3
Channel closure, side view; only two subunits are shown. Inwardly permeating K+ ("tail current") and pore cavity water molecules are shown in pink and as a blue surface. Colors as in Movie S1. The T1 domain (present in the simulation) is not shown. (The movie spans the entire trajectory of simulation 9, Table S1.)
Movie S4
VSD-pore relative movement (this T1+ trajectory is aligned on pore Cα atoms) as S4 translates inwards (down), side view; only one VSD-pore-T1 subunit is shown. VSD basic and acidic side chains, and Phe233, are explicitly shown. Colors as in Movie S2. (The movie spans the entire trajectory of simulation 9, Table S1.)
Movie S5
VSD-pore domain relative movement (this T1- trajectory is aligned on pore Cα atoms) as S4 translates inwards (down), side view; only one VSD-pore subunit is shown. VSD basic and acidic side chains, and Phe233, are explicitly shown. Colors as in Movie S1. (The movie spans the entire trajectory of simulation 5, Table S1.)
Movie S6
S4 inward ("downward") translation (the trajectory is aligned on S1-S3a Cα atoms), side view; only one VSD subunit is shown. VSD basic and acidic side chains, and Phe233, are explicitly shown. Colors as in Movie S2. (The movie spans the entire trajectory of simulation 9, Table S1.)
Movie S7
S4 inward ("downward", deactivation) and outward ("upward", activation) translation (the trajectory is aligned on S1-S3a Cα atoms), side view, overlaid onto the paddlechimera crystal structure (transparent); only one VSD subunit is shown. VSD basic and acidic side chains, and Phe233, are explicitly shown. Colors as in Movie S1. The colored bar indicates the applied voltage over time (red, hyperpolarization; blue, depolarization; the movie combines the trajectories of simulations 9 [skipping the initial 50 µs] and 14, Table S1.)
Movie S8
Inward K+ leak current across the R2Ser mutant "omega" pore (the trajectory is aligned on S1-S3a Cα atoms), side view; only one VSD subunit is shown. Single permeation events are shown with the permeating and bulk potassium ions colored yellow and white. VSD basic and acidic side chains, and Phe233, are explicitly shown. Colors as in Movie S1. (The movie spans a 3.5 µs window of simulation 1, Table S3.)