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Figure 5.
Figure 5. Binding modes of the three isomers transferred to
the active site of factor Xa, together with solvent-accessible
surfaces. (A) The cycloheptanone-ring system of the (E,Z)-isomer
(light blue) clashes (yellow) with the side-chain of Tyr99
(red). (B) The (Z,Z)-configuration fits optimally to the binding
site of factor Xa. (C) The (E,E) isomer makes no favourable
interaction outside of the primary specificity pocket.
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