Figure 4: Calcium binding sites in the calcium-bound and calcium-free state of the N-terminal domain.

(a) S100-like EF-hand 1 in the calcium-bound state of citrin with a short anti-parallel beta-sheet in the loop region. (b) EF-hand 2 in the calcium-bound state of citrin with residues involved in the pentagonal mono-pyramidal coordination of calcium. Calcium is shown as a green sphere, with an anomalous difference Fourier map shown as an orange mesh contoured at a 5.0 σ-level. (c) EF-hand 3 in the calcium-bound state of citrin with residues involved in hydrogen bonds and the coordination of water (blue sphere). (d) S100-like EF-hand 1 in the calcium-free state of aralar (e) EF-hand 2 in the calcium-free state of aralar (f) EF-hand 3 in the calcium-free state of aralar. Hydrogen bonds are shown as black dotted lines and hydrogen bonds involved in the coordination of water molecules in orange dotted lines.