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. 2018 Feb 26;6:e4412. doi: 10.7717/peerj.4412

Figure 1. Electron densities of seven compounds described in this study bound to different CA isoforms.

Figure 1

The electron densities of the compounds bound to CA II, CA XII, and CA XIII isoforms are shown as meshed isosurface and Zn2+—as blue spheres. The electron density maps |Fobs − Fcalc| have been calculated after ligand removal from the crystal structure of CA-inhibitor complex are contoured to 3σ, except (C) (contoured to 2.5σ). (A) Compound 4 in CA II (PDB ID 5LLH). (B) Compound 13 in CA II (PDB ID 5LLC). (C) Compound 2 CA II (PDB ID 5LLE). (D) Compound 1 in CA II (PDB ID 5LLG). (E) Compound 16 in CA XII (PDB ID 5LLP, A subunit). (F) Compound 12 in CA XII (PDB ID 5LLO, A subunit). (G) Compound 10 in CA XII (PDB ID 5MSB, A subunit).