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Figure 5.
Fig. 5. Close-up of the interaction between N1 of PLP and a
fixed water molecule. This water molecule is held precisely in
place in all four subunits by three main-chain hydrogen bonds
from residues in the loop (R[112]YPDR[116]). The nature of the
hydrogen bonding partners would uniquely position this water
such that a water proton is hydrogen bonded with N1 of the
pyridine nitrogen, implying that the pyridoxal ring is
unprotonated.
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