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Figure 4.
Figure 4. Overlay of the com-
plexes of BANA205 and BANA206
with B/Lee/40 NA, and native B/
Lee/40 NA showing water del-
etions and movements, as well as
the movement of the Glu275 side-
chain. Blue is native B/Lee/40 NA,
red is B/Lee/40 NA complexed
with BANA206, and green is B/
Lee/40 NA complexed with
BANA205. The pyrrolidinone ring
and the two hydroxymethyl groups
replace water molecules WAT677,
WAT725 and WAT723. The
induced rotation of Glu275 by the
inhibitor molecules is shown.
Movement of WAT724 is shown by
the arrow and it is pushed
~1.4
Å
deeper into the binding pocket. In
the case of BANA206, WAT724
does not move because the rotation
of Glu275 supplies WAT724 with a
new hydrogen bond to compensate
for the lost hydrogen bond from
the missing WAT723 (Figure 5(b)).
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