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. Author manuscript; available in PMC: 2016 Jan 31.
Published in final edited form as: J Mol Recognit. 2015 Jan 20;28(2):74–86. doi: 10.1002/jmr.2413

Figure 6.

Figure 6

Conformational frustration in CaM-CaMBT recognition. (A), (B) and (C) represent the schematic diagram of CaM-CaMBT association process along the binding route (see Fig. 3). The unstructured CaMBT (CaMKI or CaMKII) initially interacts with one of the domain of CaM (predominantly the cCaM). At the early stage of association (from A to B) the conformational frustration comes into play as the CaMBT starts to interact with the other domain of CaM (predominantly the nCaM). The conformational frustration at the late stage (from B to C) occurs, as the CaMBT approaches towards the binding pocket of CaM. As a result, intermolecular contacts between CaM and CaMBT are either broken or new intermolecular contacts are formed. In the schematic diagram of CaM the number 1-4 denotes the four EF-hands. The BC and FG helix-linkers of CaM are represented by the dotted lines in red and blue, respectively. Yellow spheres denote positions of four Ca2+ ions. The binding loops of CaM are not shown. The ensemble of CaMBT structures is shown in green.