Effect of Calcium Ion Removal, Ionic Strength, and Temperature on the Conformation Change in Calmodulin Protein at Physiological pH

Figure 8

Snapshots from the MD simulation: N-lobe is in green, linker is in purple, and C-lobe is in cyan. At (a) 0 ns, that is, at the beginning of the simulation, (b) a salt bridge is formed between residues 11 (GLU) and 94 (LYS), 14 (GLU) and 90 (ARG), and 7 (GLU) and 86 (ARG) of the N-lobe and the C-lobe. Note that only the salt bridge formations are shown here and the calcium ions are not shown in these snapshots.

(a)

(b)