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Figure 4
The overall fold of (a) TtX122A and (b) TtX122B shown at the same viewing angle. In both cases, the calcium binding site is represented with a yellow sphere with coordinating residues shown as sticks. (c) The molecular surface of TtX122A shown at two viewing angles rotated by 180° and coloured by sequence conservation resulting from ConSurf analysis using 648 sequences. On the left, the most highly conserved surface is found surrounding Arg118 and is in the vicinity of active or ligand binding sites in other proteins with this fold. On the right, the most conserved region surrounds the calcium ion shown in yellow. (d) A close-up view of the conserved amino acids centred around Arg118, which may represent a conserved active or ligand binding site within the X122 family. The most highly conserved residues in this region are shown as sticks and coloured by atom type, with carbon atoms coloured according to the ConSurf score as shown in (c).

IUCrJ
Volume 11| Part 2| March 2024| Pages 260-274
ISSN: 2052-2525
https://doi.org/10.1107/S2052252524001386