Figure 6
The Ca2+ atom (residue 1377) in chain A of PDB entry 2wxu was detected as being heavier than the neighbouring atoms. The figure illustrates the local neighbourhood of this ion after replacing the Ca2+ cation with a half-occupied Cd2+ cation at the same position. The twofold crystallographic symmetry axis is perpendicular to the plane and passes through the centre of the line connecting the heavy cations. The distance between symmetry-related Cd2+ ions is 2.3 Å, indicating that they cannot coexist. It is likely that when a Cd2+ is present in one position then the other position is occupied by a water molecule. As a result, the surrounding residues may also have multiple conformations. This also describes the positive density around the surrounding residues. |