Table 1: Grid box parameters selected for the target enzymes.

PDB ID (Resolution)

Organism

Enzyme

x, y, z

coordinates of left of box

1T5F (2.20 Å)

Rattus novergicus

ArgI

88.57

43.842

-6.292

2JK6 (2.95 Å)

L. infantum

TryR

30.449

47.483

-4.312

3NGU (2.29 Å)

L. major

NDKb

-15.885

-9.192

-5.732