Figure 2 | Scientific Reports

Figure 2

From: Revealing the activation mechanism of autoinhibited RalF by integrated simulation and experimental approaches

Figure 2

Structures from the different phases of the modelling process: (A) autoinhibited, closed RalF; (B) partially open RalF retrieved after the filtering of the first conformational mapping step; (C) partially open RalF obtained previously anchored to the membrane; (D) open RalF attached to the membrane retrieved by MDeNM starting from the anchored structure shown in (C); (E) the modeled membrane-anchored, myristoylated, full-length Arf1; and (F) the relaxed, membrane-attached RalF-Arf1 complex. RalF Sec7 is represented in white denoting the Arf1 binding site by cyan (αG) and mauve (αH). The Capping domain is represented in grey. Arf1 depicted in green, switch1 in blue, switch2 in red, and P-loop in purple. The GDP nucleotide is in licorice representation, the membrane-binding residues are in orange.

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