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Figure 2.
Figure 2. Sim-weighted electron density (2mF[o] -dF[c],
blue at 1s) and difference electron density (mF[o] -dF[c], white
at 2s and red at -2s) maps showing the rotation of Q181. The
maps were calculated from a model of PKA (orange sticks) after
refinement but prior to rotation of the side-chain. Green sticks
depict the refined structure of the double mutant PKAB2. The
density shows unambiguously how Q181 rotates to occupy the
cavity near the V123A position and near the adenine-binding
interaction sites.
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