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Figure 2
Interactions of TEI-I01800A in the ATP-binding site of MK2. (a) Schematic molecular structure of TEI-I01800. Atom numbers were assigned sequentially. The bonds C7—N10 and N10—C11 between the pyrazolo[1,5-a]pyrimidine-scaffold part and the p-ethoxyphenyl group at the 7-position are freely rotatable. (b) Binding interaction of TEI-I01800A and MK2. (c) Solvent-accessible surface view of the new binding pocket for TEI-I01800A (blue shows the electrostatic positive charge and red shows the negative charge as calculated by DS Visualizer).

Journal logoBIOLOGICAL
CRYSTALLOGRAPHY
ISSN: 1399-0047
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