Table 3.
Lipid binding and receptor deactivation in simulations with anionic lipids
No. of Distinct Lipid Binding Eventsa,b | % of Lipid-Bound R3.50b (%) | % of Simulations Exhibiting |
% of Time |
Active State Half-Life (μs) | ||
---|---|---|---|---|---|---|
H3–H6 Closurec | Ionic Lockd | Closedc | Lockedd | |||
83 | 14 ± 1 | 12 ± 0 | 21 ± 2 | 4 ± 2 | 2 ± 1 | 9.4 ± 1.6 |
Not counting rebinding of a previously bound lipid.
Minimum Nη-O distance between R3.50 and a lipid, dR3.50-lipid < 0.35 nm.
Cα distance between R3.50 and L6.34, dH3–H6 < 0.94 nm.
Minimum Nη-Oε distance between R3.50 and E6.30, dlock < 0.35 nm.