Figure 4 - full size

 

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)).

The above figure is reprinted by permission from Elsevier: J Mol Biol (1999, 293, 1107-1119) copyright 1999.