Molecular Dynamics Simulations of the Human Glucose Transporter GLUT1 (original) (raw)
Fig 4
A sequence of closing or opening of extracellular vestibule.
(A) The fully opened outward-facing conformation (the result of CMD and AMD simulations). (B) The partially occluded outward-facing conformation (the result of SMD and CMD for sugar binding). (C) The X-ray structure of GLUT1 in the opened inward-facing conformation. For clarity, the intracellular domains between TM6 and TM7, and the C-terminal loop domain are omitted. Bound glucose molecule is described by white (carbon) and red (oxygen) spheres. The N-domain and C-domain are shown in cyan and orange, respectively.