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Figure 6.
Figure 6. Comparison of HA-1077 and H-1152POverlay of
HA-1077 and H-1152P demonstrates the colocalization of the
isoquinoline atoms with respect to the surrounding residues.
Both inhibitor molecules form an H bond to the backbone amide of
Val123 in the hinge region. The position of the homopiperazine
rings, however, diverge by ca. 1.5 Å. Consequently, H bonds
between the homopiperazine nitrogen and Glu127 and Glu170 are
formed only in the PKA-1077 complex. The contact between C10 and
Thr183, which prevents as a steric clash a HA-1077-like
positioning of the H-1152P homopiperazine ring, is shown as a
red double arrow.
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