Fig 5. X-ray crystal structure of compound 5 covalently bound to cruzain (chain A), solved to a resolution of 3.13 Å and deposited at PDB with ID code 4QH6.

The inhibitor is colored green and the final 2Fo-Fc electron density map (contoured at 1σ level) is shown in cyan. The catalytic Cys25 and the main residues involved in binding to the inhibitor are also shown. Black dashed lines represent hydrogen bonds. Figure prepared with CCP4mg software [52].