A1B4_DOCK.pdb

This file is the output file in pdb format of the best docking pose of a simulation performed with Glide in extra precision (XP) mode. The structure of the protein TcBDF3 was obtained from a representative snapshot of a molecular dynamics simulation. Ligand docking was performed using Schrodinger software (version 2023-3). The Protein Preparation Wizard within the Schrodinger software was used for protein preparation. LigPrep was used for ligand preparation. The 20x grid box was centered on the binding site. The ligand A1B4 is named UNK in the pdb file.