Membranes


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

Name:neuronal plasma membrane
Lipids: CHOL, PUPE, PAPE, POPC, PUPS, DPPC, PAPS, PAPC, POPE, POPS, PUPI, DPSM, OUPE, OAPE, PAPI, POPI, DOPC, PUPC, OUPS, PIPI, DPPS, DPCE, PWPC, OIPC, PNSM, PADG, PAI1, PAI6, PAI7, OIPE, PBSM, PAPA, OUPC, I0PE, POSM, PODG, POI1, POI6, POI7, POPA, P0PC, P0PE, DBCE, PNCE, POCE, I0PC, DPGS, PNGS, DBGS, DPG1, DPG3, POGS, PNG1, PNG3, DBG1, DBG3, POG1, POG3
Forcefield: martini 2.0
Software:Gromacs 4.6
Files: LIM25_neuronal_plasma_membrane.gro, LIM25_neuronal_plasma_membrane.txt
Simulation files
Number:19447 lipids
Temperature:310 °K
Equilibration:80000 ns
Tags:mammalian, plasma membrane, neuronal
Proteins:
Description:

Primary source: https://bbs.llnl.gov/neuronal-membrane-data.html

POPC and DPPC (version Ingolfsson2017) have position restrains on the z-axes on the PO4 bead that can be controled with POS_Z_AXES

POPX, DPPX, POP1, POP2, POP3, PAP1, PAP2, PAP3, PPC, IPC, PPE and IPE have been renamed POPC, DPPC, POI1, POI6, POI7, PAI1, PAI6, PAI7, P0PC, I0PC, P0PE and I0PE.
ION residues have been renamed NA+ and CL-

References: Ingólfsson2017 Biophysical Journal, 113. Computational Lipidomics of the Neuronal Plasma Membrane
Composition:
Upper leaflet 1
4154 CHOL (Melo2015) ( 44.1%)
922 PUPE (Wassenaar2015) ( 9.8%)
574 PAPE (Wassenaar2015) ( 6.1%)
463 POPC (Wassenaar2015) ( 4.9%)
326 PUPS (Wassenaar2015) ( 3.5%)
284 DPPC (Marrink2007) ( 3.0%)
261 PAPS (Wassenaar2015) ( 2.8%)
247 PAPC (Wassenaar2015) ( 2.6%)
234 POPE (Wassenaar2015) ( 2.5%)
232 POPS (Wassenaar2015) ( 2.5%)
194 PUPI (López2013) ( 2.1%)
143 DPSM (Wassenaar2015) ( 1.5%)
133 OUPE (Ingólfsson2017) ( 1.4%)
127 OAPE (Ingólfsson2017) ( 1.3%)
121 PAPI (López2013) ( 1.3%)
121 POPI (López2013) ( 1.3%)
118 DOPC (Wassenaar2015) ( 1.3%)
90 PUPC (Wassenaar2015) ( 1.0%)
65 OUPS (Ingólfsson2017) ( 0.7%)
48 PIPI (López2013) ( 0.5%)
46 DPPS (Wassenaar2015) ( 0.5%)
34 DPCE (Wassenaar2015) ( 0.4%)
32 PWPC (Ingólfsson2017) ( 0.3%)
32 OIPC (Ingólfsson2017) ( 0.3%)
32 PNSM (Wassenaar2015) ( 0.3%)
32 PADG (Wassenaar2015) ( 0.3%)
29 PAI1 (Ingólfsson2017) ( 0.3%)
29 PAI6 (Ingólfsson2017) ( 0.3%)
29 PAI7 (Ingólfsson2017) ( 0.3%)
27 OIPE (Ingólfsson2017) ( 0.3%)
27 PBSM (Ingólfsson2017) ( 0.3%)
25 PAPA (Wassenaar2015) ( 0.3%)
22 OUPC (Ingólfsson2017) ( 0.2%)
20 I0PE (Ingólfsson2017) ( 0.2%)
17 POSM (Wassenaar2015) ( 0.2%)
15 PODG (Wassenaar2015) ( 0.2%)
15 POI1 (López2013) ( 0.2%)
15 POI6 (López2013) ( 0.2%)
15 POI7 (López2013) ( 0.2%)
13 POPA (Wassenaar2015) ( 0.1%)
10 P0PC (Wassenaar2015) ( 0.1%)
10 P0PE (Ingólfsson2017) ( 0.1%)
8 DBCE (Ingólfsson2017) ( 0.1%)
7 PNCE (Wassenaar2015) ( 0.1%)
6 POCE (Ingólfsson2017) ( 0.1%)
5 I0PC (Wassenaar2015) ( 0.1%)
Lower leaflet 1
4499 CHOL (Melo2015) ( 44.8%)
868 POPC (Ingólfsson2017_Z) ( 8.6%)
581 DPSM (Wassenaar2015) ( 5.8%)
531 DPPC (Ingólfsson2017_Z) ( 5.3%)
500 PUPE (Wassenaar2015) ( 5.0%)
484 DPGS (Ingólfsson2017) ( 4.8%)
463 PAPC (Wassenaar2015) ( 4.6%)
312 PAPE (Wassenaar2015) ( 3.1%)
221 DOPC (Wassenaar2015) ( 2.2%)
169 PUPC (Wassenaar2015) ( 1.7%)
132 PNSM (Wassenaar2015) ( 1.3%)
127 POPE (Wassenaar2015) ( 1.3%)
109 PNGS (Ingólfsson2017) ( 1.1%)
108 PBSM (Ingólfsson2017) ( 1.1%)
90 DBGS (Ingólfsson2017) ( 0.9%)
89 DPG1 (López2013) ( 0.9%)
89 DPG3 (López2013) ( 0.9%)
72 OUPE (Ingólfsson2017) ( 0.7%)
71 POSM (Wassenaar2015) ( 0.7%)
68 OAPE (Ingólfsson2017) ( 0.7%)
59 PWPC (Ingólfsson2017) ( 0.6%)
59 OIPC (Ingólfsson2017) ( 0.6%)
59 POGS (Ingólfsson2017) ( 0.6%)
42 OUPC (Ingólfsson2017) ( 0.4%)
41 DPCE (Wassenaar2015) ( 0.4%)
20 PNG1 (López2013) ( 0.2%)
20 PNG3 (López2013) ( 0.2%)
20 P0PC (Wassenaar2015) ( 0.2%)
18 PADG (Wassenaar2015) ( 0.2%)
16 DBG1 (Ingólfsson2017) ( 0.2%)
16 DBG3 (Ingólfsson2017) ( 0.2%)
14 OIPE (Ingólfsson2017) ( 0.1%)
11 PODG (Wassenaar2015) ( 0.1%)
10 POG1 (Ingólfsson2017) ( 0.1%)
10 POG3 (Ingólfsson2017) ( 0.1%)
10 I0PC (Wassenaar2015) ( 0.1%)
10 I0PE (Ingólfsson2017) ( 0.1%)
9 PNCE (Wassenaar2015) ( 0.1%)
5 P0PE (Ingólfsson2017) ( 0.0%)
4 DBCE (Ingólfsson2017) ( 0.0%)
2 POCE (Ingólfsson2017) ( 0.0%)
Curator: Jean-Marc Crowet on Dec. 13, 2020

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