PDB File and MD Simulation results for "The atypical sphingolipid SPB 18:1(14Z);O2 is a biomarker for DEGS1 related hypomyelinating leukodystrophy"

Supplementary structural file for article: "The atypical sphingolipid SPB 18:1(14Z);O2 is a biomarker for DEGS1 related hypomyelinating leukodystrophy": -Predicted Structure of DEGS1 docked to C16 Ceramide in PDB format - 2.5 µsec Molecular Dynamics Simulation of this DEGS1-Ceramide complex embedded in a DPPC membrane and surrounded by TIP3 water and 150 mM NaCl as mpeg (movies) or as original trajectory. Software/Webservices used for generation: AlphaFold, PPM3 web server, CHARM-GUI PDB Manipulator, Maestro/Glide/Ligprep/Desmond (Schrödinger Inc.).