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![[Figure 2]](gi5034fig2mag.jpg)
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Figure 2
Selected residues involved in interactions with ligands. (a) AcAChBP–1. (b) AcAChBP–2. Atoms are coloured using the following scheme: C atoms of the ligands are black, those in the principal subunit are grey and those on the complementary side are cyan, O atoms are red, N atoms are blue, S atoms are yellow and F atoms are green. A marine sphere indicates the position of a conserved water molecule. Blue dashed lines represent potential hydrogen bonds. Rings A and B are labelled. In (a) a possible C—H⋯O hydrogen bond is shown as a red dashed line and the P atom is orange, and in (b) the C atoms of EDO (ethane-1,2-diol) are pink. Water molecules, main-chain atoms of some residues, for example Cys207-Cys208, and Ala124 in (b) are omitted for clarity. (c) Stereoview overlay of the two structures. Principal side residues for the complex with compound 1 are shown in violet/purple and those for the complex with compound 2 are shown in yellow/orange. Complementary side residues for the complex with compound 1 are shown in cyan and those for the complex with compound 2 are in brown. The conserved water is shown as a sphere in aquamarine and in dark blue for the complexes with compounds 1 and 2, respectively. Ligand 1 is coloured black and ligand 2 is coloured red. The coordinates were overlaid using the superpose ligands option in Coot. |
![[Figure 2]](gi5034fig2.jpg)
 | STRUCTURAL BIOLOGY |
ISSN: 2059-7983
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