Published August 21, 2023
| Version v1
Dataset
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PDB File and MD Simulation results for "The atypical sphingolipid SPB 18:1(14Z);O2 is a biomarker for DEGS1 related hypomyelinating leukodystrophy"
Authors/Creators
- 1. Institute of Clinical Chemistry, University Hospital Zurich, University of Zurich, Zurich, Switzerland
- 2. Department of Pediatric Neurology, University Children's Hospital, Zurich, University of Zurich, Zurich, Switzerland
- 3. Department of Women's and Children's Health, Pediatric oncological and neurological research, Uppsala University, Uppsala, Sweden
- 4. Institute of Medical Genetics, University of Zurich, Schlieren, Zurich, Switzerland
Description
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.).