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Figure 2.
Figure 2. Solvation of NCP147. (a) Water molecules and ions
associated with NCP147. The view is as in Figure 1(b). Water
molecules (gold) are shown as spheres of half van der Waals
radius. Manganese ions (violet) and chloride ions (green) are
shown as spheres of van der Waals radius. The path of the
histone chains and DNA strands are shown (H3, blue; H4, green;
H2A, yellow; H2B, red; DNA strands, cyan and brown). The histone
N-terminal tails are not shown in their entirety. (b)
Space-filling representation of the DNA and its primary
hydration layer. Water molecules (gold) with centers closer than
3.5 Å from any DNA atom center are shown. The DNA
superhelix (backbones strands, cyan and brown; bases, silver) is
rotated 60° around the dyad axis compared to the view in
(a). (c) Minor groove "spine of hydration". Five and six-member
fused rings of water molecules (red) with hydrogen bonds
(broken, white) are shown in the DNA minor groove with the
simulated-annealing, omit difference electron density (F[o]
-F[c], 1.3s contour, yellow) superimposed.
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