Membranes


N.B.: If you use the following files in your work, please cite the primary source. (see Description field)

Name:yeast er1
Lipids: DYPC, YOPC, POPI, PYPI, DYPE, YOPE, ERGO, YOPA, YOPS, POPS
Forcefield: charmm36
Software:Namd 2
Files: LIM4_yeast_er1.pdb, LIM4_yeast_er1.txt
Parameters and other files
supplementary/
supplementary/er1.psf
supplementary/er1-200ns.pdb
supplementary/README
supplementary/er1.xplor.psf
Simulation files
Number:300 lipids
Temperature:303 °K
Equilibration:200 ns
Tags:saccharomyces cerevisiae, yeast, endoplasmic reticulum
Proteins:
Description:

Primary source: http://terpconnect.umd.edu/~jbklauda/memb.html

ERG residues have been renamed ERGO.

References: Monje-Galvan2015 Biochemistry, 54. Modeling Yeast Organelle Membranes and How Lipid Diversity Influences Bilayer Properties
Composition:
Upper leaflet 1
42 DYPC (Klauda2010) ( 28.0%)
28 YOPC (Klauda2010) ( 18.7%)
21 POPI (Wu2014) ( 14.0%)
14 PYPI (Wu2014) ( 9.3%)
10 DYPE (Klauda2010) ( 6.7%)
10 YOPE (Klauda2010) ( 6.7%)
7 ERGO (Lim2012) ( 4.7%)
6 YOPA (Klauda2010) ( 4.0%)
6 YOPS (Venable2013) ( 4.0%)
6 POPS (Venable2013) ( 4.0%)
Lower leaflet 1
42 DYPC (Klauda2010) ( 28.0%)
28 YOPC (Klauda2010) ( 18.7%)
21 POPI (Wu2014) ( 14.0%)
14 PYPI (Wu2014) ( 9.3%)
10 DYPE (Klauda2010) ( 6.7%)
10 YOPE (Klauda2010) ( 6.7%)
7 ERGO (Lim2012) ( 4.7%)
6 YOPA (Klauda2010) ( 4.0%)
6 YOPS (Venable2013) ( 4.0%)
6 POPS (Venable2013) ( 4.0%)
Curator: Jean-Marc Crowet on Dec. 9, 2020

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