Data for “DOCLASP - Docking ligands to target proteins using spatial and electrostatic congruence extracted from a known holoenzyme and applying simple geometrical transformations”

solvedJrPPO1Docked.pdb: phenylthiourea docked to the solved structure of JrPPO1 (Polyphenol oxidase from walnut, PDBid:5CE9). modelledJrPPO1Docked.pdb: phenylthiourea docked to the modelled structure of JrPPO1 (Polyphenol oxidase from walnut) using SWISSMODEL based on the PDBid:1BUG, since the solved structure was not available at that time. PLA2dockedsuramin.p1m: suramin docked to the phospholipase A2-like protein from PDBid:3BJW from {\it Echis carinatus} (saw scaled viper), showing that it has multiple sites of suramin binding.