WISDOM: A Grid-Enabled Drug Discovery Initiative against Malaria - Grid Computing: Infrastructure, Service, and Applications - page 366

TABLE 14.2
Structural Features of all the Targets Used in the Second WISDOM Data Challenge

Target Activity Structure PDB id Resolution (Å) Ligand Cofactor

GST Detoxii cation Dimer 1Q4J 2.2 GTX NO

P. falciparum DHFR (wild-type) DNA synthesis Bifunctional (with TS) 1J3I 2.33 WR99210 NADPH

P. falciparum DHFR (quadruple
mutant)

DNA synthesis Bifunctional (with TS) 1J3K 2.10 WR99210 NADPH

P. vivax DHFR (wild-type) DNA synthesis Bifunctional (with TS) 2BL9 1.90 Pyrimethamine NADPH

P. falciparum DHFR (double
mutant)

DNA synthesis Bifunctional (with TS) 2BLC 2.25 Des-chloropyrimethamine NADPH

Tubulin ( Plasmodium ) Cell division Monomer Homology

model

— — GTP