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Figure 2
The cofactor site of LsTktA. (a) The TPP cofactor is shown in stick representation with C atoms coloured green and the Mg2+ ion is represented as a light green sphere. The magenta mesh represents the Fo − Fc map contoured at 3σ around the metal and cofactor. Residues interacting with TPP/Mg2+ through hydrogen bonding (dashed lines) are shown in stick representation with the C atoms coloured grey. A distance cutoff range of 1.9–3.3 Å was used for hydrogen bonds in all figures. (b) Residues contributing hydrophobic interactions are shown as yellow sticks. Small blue and green spheres represent the favourable π-­stacking between Phe437 and the TPP aminopyridine (van der Waals contacts generated using PROBE; Word et al., 2000BB51). Interacting residues were identified using the program LigPlot+ (Wallace et al., 1995BB47).

ISSN: 2053-230X
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