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Figure 2.
Figure 2. Hydrogen bonds between the central OH group of
TMC114 and the catalytic Asp25 and Asp25′. The major
conformation of TMC114 is colored by atom type, and the minor
conformation is green. Interatomic distances are shown in
Å. (a) PR-TMC114 (PDB code 1S6G); the TMC114 conformations
were refined with 55% and 45% occupancies. (b) PR[V32I]-TMC114
and (c) PR[M46L]-TMC114. The 2F[o]–F[c] electron density for
the active site residues Asp25 and Asp25′ is shown with the
contour levels of 2.2σ. The alternate conformations have
occupancies of 60% and 40%.
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