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Figure 9.
Figure 9. Model of docking during induced release. Cartoon
illustrating the mechanism of displacement of sF from AB by AA.
AB1 and AB2 are colored cyan and green, respectively. sF is
colored pink and AA in orange. Residues important for docking
and displacement are labeled in step 1. The model is as follows:
(1) AB1 of sF:AB[2] is the targeted molecule for docking as its
surface is more accessible to AA. In particular, AB-Arg20, a
residue critical for the AA:AB interaction exposed. (2) AA docks
onto its initial docking sites on AB1 (represented by AB-Glu104
and AB-Ile112). (3) AA docks into a secondary which is
represented by AA-Asp23 interacting with AB-Arg20. Upon the
second docking, a clash occurs between sF and AA (circled in
black and represented by AA-Glu21 and sF-Asp148). (4) The clash
leads to the dissociation of sF from AB(ADP). AA then slips into
its final docking conformation that is amenable to
phosphorylation (represented by AA turning yellow and Ser58
turning red). (5) P-AA dissociates from AB(ADP) due to steric
and electrostatic clashes. (6) Unphosphorylated AAs interact
with AB1 as an IC and AB2 as a target for phosphorylation.
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