Fig. 2: Pore of FLYC1.

a Depiction of central pore along the TM domain, with pore lining residues (shown as sticks, except for G575 which is shown as a sphere) labeled. b Pore profile of FLYC1, closed AtMSL1 and EcMscS in open (PDB: 5AJI) and closed states. Box represents area of (c). c Radius profile of FLYC1 pore (TM region) during a 100 ns protein backbone-restrained simulation. The dark gray region covers the maximum and minimum radii of the position, while the light gray region covers a region of mean radius ± 1 s.d. Positions of the pore-lining residues (center of mass) from the pore axis are labelled. d Trajectories of Cl^– traversing the channel completely during simulation in the presence of a −425 mV transmembrane potential difference, shown as their coordinates along the pore (z) axis. Each colored trace represents a different Cl^–, while all Cl^– inside the channel is depicted in cyan. Three representative trajectories are highlighted in the foreground. The pore region lined by TM6a (from K558 to N576) is highlighted in yellow. The locations of the F572 ring and the cytoplasmic portal are also marked as dashed lines. One of our three independent simulations is shown for (c and d). e A representative snapshot of Cl^– ion crossing event through the F572 ring, during which dewetting behavior is not observed.