Table 4.

Grid box parameters selected for the target enzymes.

Protein	Species	PDB ID	Resolution	Grid Box Center Coordinates			Grid Box Size
				x	y	z
Cyp51	L. infantum	3L4D	2.75	31.917	−28.96	−1.658	50 × 50 × 50
TryR	L. infantum	2JK6	2.95	30.449	47.483	−4.312
TryS	L. major	2VOB	2.3	−5.339	−21.67	8.498
ArgI	L. mexicana	4ITY	1.8	15.141	−15.125	−5.4

Cyp51: sterol 14α demethylase, TryR: trypanothione reductase, TryS: trypanothione synthetase, ArgI: arginase I. Units for the coordinates and box size are Å.