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Figure 3.
Figure 3. (a) Experimental 2Fo 2 Fc electron density, contoured at a level of 1s, for co-crystals of (3) with X99rT. One
half of the desired aromatic box is formed by the side-chains of Y99 and W215. (b) Soaking of the crystals with (1)
reveals the inhibitor to bind in an extended conformation, with its chloronaphthyl group buried deep in the primary
specificity pocket and the piperidinyl and piperidinyl rings in the position of the hydrophobic box of factor Xa. The
side-chain of Y217 rotates from its position seen in (3) --X99rT so that its phenolic moiety approaches the hydro-
phobic/aromatic moieties of the inhibitor.
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