Figure 4 | Scientific Reports

Figure 4

From: Novel and selective inactivators of Triosephosphate isomerase with anti-trematode activity

Figure 4

(A) Top (left) and side (right) view of the content of the asymmetric unit of FhTIM crystal. Dimer A-D: blue tints; dimer B-C: green tints; dimer E-F: yellow tints, with one SO42− molecule (green and yellow) per protomer. Black rectangle highlights the dimer shown in B; (B) Close-up view of dimer A-D with the two SO42− molecules in the active site of each monomer (red and green). Red rectangle highlights the active site of FhTIM shown in (C), left panel; (C) Close-up comparison of the active site of chain A of FhTIM (left panel) with the active site of chain A of PfTIM (PDB ID: 1LYX, right panel) with their liganded SO42− and phosphoglycolate (PGA), respectively. Dashed lines display the hydrogen bonds network of the ligand with neighboring residues/water molecules. The red sphere in the left panel corresponds to water molecule 465 of FhTIM, chain A. Coloring scheme for the ligands’ atoms is: red = oxygen, yellow = phosphorus, green = sulfur, light gray = carbon, orange = chloride. The structure of FhTIM is available in the PDB database (accession ID: 6R8H).

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