Table 1 Structural features of the targets used in WISDOM II
Target | Activity | Structure | PDB id | Resolution Å | Cocrystallized Ligand | Co-factor |
|---|---|---|---|---|---|---|
Pf GST | Detoxification | Dimer | 1Q4J | 2.2 | GTX | NO |
Pf DHFR (wild type) | DNA synthesis | Polymer | 1J3I | 2.33 | WR99210 | NADPH |
Pf DHFR (Quadruple mutant) | DNA synthesis | Polymer | 1J3K | 2.10 | WR99210 | NADPH |
Pv DHFR (wild type) | DNA synthesis | Polymer | 2BL9 | 1.90 | Pyrimethamine | NADPH |
P vDHFR (Double mutant) | DNA synthesis | Polymer | 2BLC | 2.25 | Des- chloropyrimethamine | NADPH |