Intermolecular interactions between ACE inhibitors and the tACE binding site.

Data used for lisinopril, enalaprilat, captopril, RXPA380, selenocaptopril, KAF, KAW, lisW-S and FII-A was obtained from the LigPlot+ diagrams that are available at the PDBsum resource (http://www.ebi.ac.uk/pdbsum/) for PDB files 1O86, 1UZE, 1UZF, 2OC2, 2YDM, 3BKK, 3BKL, 3L3N and 2XY9, respectively. Data for luteolin, quercetin, rutin and kaempferol was obtained by applying LigPlot+ to the structure of their predicted complexes with tACE. Hydrophobic contacts are indicated by a check mark whereas hydrogen bonds are indicated with the label of the protein atom that is involved.