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Figure 3.
Figure 3. (a) P2[1]2[1]2[1]-A 1.9 Å F[o]–F[c]
electron density, contoured at the + 3.0 σ level, computed
before any modelling of the ligand was attempted. The final
model for the ricinoleic acid ligand is shown with C (orange)
and O(red) surrounded by the OmCI pocket residues (C, green; O,
red; N, blue; and S, yellow); the picture was produced with
PyMol [http://www.pymol.sourceforge.net/]. (b) A representation
of the water molecules and OmCI residues forming hydrogen bonds
(with distances in Å) and non-bonding hydrophobic contacts
to the ricinoleic acid. The picture was produced with the
program LigPLot.^57
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