PDB file WT.pdb contains the last frame from 10 ns molecular dynamics simulation alpha7-AChBP chimera (PDB 3SQ6). Only two adjacent subunits were subjected to simulations. PDB files with names E185V, E189G, F187S, L119D, Q117T, R186I, S184N and Y118W contain the last frame from molecular dynamics simulation of alpha7-AChBP chimera with the respective mutations (residues numbered according to human alpha7 nAChR). PDB files F104.pdb and V104_mutant.pdb contain structures in which 104th residue of alpha7 AChBP chimera was changed either to phenylalanine (as in actual human alpha7 nAChR) or to valine (as in alpha9 nAChR).