Figure 3

(A) Modelling of the three-dimensional structure corresponding to the protein sequence of the isoenzyme PdVP2 of the H⁺-PPase of P. dicentrarchi. The homodimeric type oligomeric modelling obtained from the quaternary structure is included, indicating the existence of two monomeric chains A and B (circles). The model predicts one ligand for K⁺ and three ligands for Mg⁺² (B–E). K.8 has four coordination residues, and no protein–ligand interactions (PLIPs) were detected (B). Mg. 5 presents four coordination residues and three PLIPs in the A chain forming metal complexes (C). Mg.18 has four coordination residues and two PLIPs in the B chain protein forming metal complexes (D). Mg. 20 has three coordination residues and one PLIP in the B chain forming metal complexes (E). Templates were obtained by an automated comparative protein modelling server of the Swiss Model (URL: https://swissmodel.expasy.org/).