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Figure 8.
Figure 8. Kinematics at hinge H6 in the movement of domain LID
from an ‘open’ to the ‘closed’ state as derived from a
molecular dynamics simulation using X-PLOR [19]. The average
(φ, ψ) pathways of the ‘trigger’ residues are plotted with
dots at 0.5 ps intervals: S, start in the apo-AK[eco]
structure; E, end of simulated pathway; T, target value in the
AK[eco]:Ap[5]A structure. The averages are from 10 simulations
all of which run along similar pathways. The allowed regions
[18] of the (φ, ψ) plot are indicated by dotted lines.
Figure 8. Kinematics at hinge H6 in the movement of domain LID
from an ‘open’ to the ‘closed’ state as derived from a
molecular dynamics simulation using X-PLOR [[3]19]. The average
(φ, ψ) pathways of the ‘trigger’ residues are plotted with
dots at 0.5 ps intervals: S, start in the apo-AK[eco] structure;
E, end of simulated pathway; T, target value in the
AK[eco]:Ap[5]A structure. The averages are from 10 simulations
all of which run along similar pathways. The allowed regions
[[4]18] of the (φ, ψ) plot are indicated by dotted lines.
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