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Figure 4.
Figure 4. Conformational changes of His L27d (a) and Trp
H100i (b) induced by TSA binding. The structures of 6D9 in the
unliganded form (sky blue) are superimposed on that of the
liganded form (blue), form II, re-refined based on the data from
the previous work.^10 Binding of the TSA “pulls” the L1 loop
through a hydrogen bond between the phosphate and the catalytic
His L27d. The indole ring of Trp H100i in the unliganded form
occupies a hydrophobic pocket, whereas it flips out to allow the
TSA to bind in the pocket in the complex. For clarity, the
hapten is represented as the transition-state analog 3.
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