Tunnel/cavity system of BjPutA. (A) BjPutA protomer with PRODH
colored blue, P5CDH pink, and the oligomerization flap green. The
FAD and NAD+ are shown as yellow and green sticks, respectively.
Catalytic Cys792 of the P5CDH active site is indicated. The gray surface
represents the predicted channeling pathway calculated with MOLE.
Helices α5a and 770s (residues 773–785) are colored gold
and cyan, respectively. We note that in a tetramer of BjPutA, the
dimerization flap of one protomer covers the tunnel of the other protomer.
(B) Details of the predicted channeling pathway. The predicted path
from MOLE is shown as mesh. Models of P5C and GSA in the tunnel are
shown for scale (green). (C) Another view of the tunnel/cavity system,
with the predicted channeling tunnel calculated from MOLE shown as
gray mesh and the off-pathway cavity calculated using VOIDOO shown
as red mesh.