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Figure 2.
Fig. 2. Structure of the PknB-mitoxantrone complex. (a)
Superposition of the PknB-mitoxantrone complex (in yellow) and
the PknB-AMPPCP complex (1O6Y, in cyan). Note the movement of
the Gly-rich loop (black arrow). (b) Observed (yellow) and
predicted (thin lines) orientations of mitoxantrone within the
adenosine-binding cavity (represented as a molecular surface).
The electron density map for the inhibitor is contoured at 1σ.
(c) Schematic view (represented as in Ref. [26]) of the PknB
ATP-binding site showing hydrogen bonding interactions with both
the inhibitor (in blue) and AMP-PCP (PDB code 1O6Y).
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