Figure 2.
Figure 2: TCAs bind in the putative permeation pathway of LeuT.
F[o]–F[c] simulated annealing omit maps, both contoured at
3.0 ,
of clomipramine (a) and imipramine (b), in which the TCA was
omitted from the simulated annealing run and subsequent phase
calculation. The chlorine atom of clomipramine is green. c, LeuT
tilted 15°
from the membrane plane to illustrate the binding sites of
clomipramine and leucine, both depicted in space-filling
representation. Helices whose residues interact with
clomipramine are coloured. d, Electrostatic properties of the
LeuT extracellular-facing vestibule, with clomipramine
(yellow) cradled in the negatively charged crevice.
Electrostatic potential isocontours were set at +7 kT e^–1
(blue) and –7 kT e^–1 (red). EL4 is tinted green. To make
clomipramine more visible, LeuT has been tilted an additional
5°
towards the reader from the view in c ( 20°
from the membrane plane).
The above figure is reprinted
by permission from Macmillan Publishers Ltd:
Nature
(2007,
448,
952-956)
copyright 2007.
,
of clomipramine (a) and imipramine (b), in which the TCA was
omitted from the simulated annealing run and subsequent phase
calculation. The chlorine atom of clomipramine is green. c, LeuT
tilted 
15°
from the membrane plane to illustrate the binding sites of
clomipramine and leucine, both depicted in space-filling
representation. Helices whose residues interact with
clomipramine are coloured. d, Electrostatic properties of the
LeuT extracellular-facing vestibule, with clomipramine
(yellow) cradled in the negatively charged crevice.
Electrostatic potential isocontours were set at +7 kT e^–1
(blue) and –7 kT e^–1 (red). EL4 is tinted green. To make
clomipramine more visible, LeuT has been tilted an additional