Table 1 Systems explored using atomistic simulation models (*LMD: luminal domain of seipin oligomer; **TM + LMD: seipin oligomer with transmembrane helices and luminal domain, *** see ref. 14 Table S1 for ER membrane lipid composition)
Seipin | ER membrane system*** (mol% of neutral lipids) | Simulation time (in μs) | No. of simulations |
|---|---|---|---|
No | CE (5 mol%) | 2 | 3 |
No | CE (7 mol%) | 2 | 3 |
No | CE (10 mol%) | 2 | 3 |
No | TG + CE (2.5 mol%+2.5 mol%) | 2 | 3 |
No | TG + CE (3 mol%+4 mol%) | 2 | 3 |
No | TG + CE (5 mol%+5 mol%) | 2 | 3 |
Seipin (TM + LMD**) | CE (5 mol%) | 3 | 1 |
Seipin (LMD*) | CE (5 mol%) | 5 | 1 |
Seipin (TM + LMD**) | CE (2.5 mol% within oligomer lumen and 2.5 mol% in the bulk) | 1 | 5 |
Seipin (LMD*) | TG + CE (2.5 mol%+2.5 mol%) | 5 | 1 |
Seipin (S166A mutant) | CE (5 mol%) | 1 | 3 |
Seipin (S165A-S166A mutant) | CE (5 mol%) | 1 | 3 |
