Molecular dynamics coordinates for simulations of N. parkeri saxiphilin:paralytic shellfish poison complexes

Coordinates for the initial and final frames of molecular dynamics simulations for N. parkeri saxiphilin (Sxph) complexed with: Saxitoxin (STX) and STX congeners gonyautoxin 2 (GTX2), gonyautoxin 3 (GTX3), gonyautoxin 5 (GTX5), C1, C2, decarbamoyl STX (dcSTX), decarbamoyl GTX2 (dcGTX2), and decarbamoyl GTX3 (dcGTX3). Each NpSxph:toxin pair was run in five independent simulations. Final frame from each is denoted as 'run_1, run_2, run_3, run_4, or run_5'.