Membranes


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

Name:mammalian plasma membrane
Lipids: CHOL, PIPC, POPE, POPC, PAPE, PAPS, PIPE, DAPE, DPSM, POPS, DOPE, PUPE, PUPS, PNSM, POPI, PAPC, XNSM, PIPI, PAPI, DXSM, PQPE, DUPE, BNSM, PIPS, DBSM, PUPI, DOPC, POI1, POI6, POI7, POPA, PQPS, PIPA, PAPA, PEPC, PUPC, DAPS, DUPS, POSM, PGSM, PADG, PUPA, DAPC, PNCE, PODG, DPCE, PIDG, XNCE, PUDG, DXCE, DPG1, DPG3, PNG1, PNG3, P0PC, DXG1, XNG1, DXG3, XNG3, O0PC, I0PC, A0PC, U0PC
Forcefield: martini 2.0
Software:Gromacs 4.5
Files: LIM24_mammalian_plasma_membrane.gro, LIM24_mammalian_plasma_membrane.txt
Parameters and other files
md-production.mdp
Simulation files
Number:19239 lipids
Temperature:310 °K
Equilibration:40000 ns
Tags:mammalian, plasma membrane
Proteins:
Description:

Primary source: http://www.cgmartini.nl/index.php/plasma-membrane

Simulations have been performed using the GROMACS simulation package version 4.5.x and 4.6.x.

POPC and PIPC (version Ingolfsson2014) have position restrains on the z-axes on the PO4 bead that can be controled with POS_Z_AXES

POPX, PIPX, POP1, POP2, POP3, PPC, OPC, IPC, APC and UPC have been renamed POPC, PIPC, POI1, POI6, POI7, P0PC, O0PC, I0PC, A0PC and U0PC.
ION residues have been renamed NA+ and CL- and CP atoms of PAPI and PIPI residues have been renamed PO4
Y and Z columns have been shifted to respect GRO format

References: Ingólfsson2014 Journal of the American Chemical Society, 136. Lipid Organization of the Plasma Membrane
Composition:
Upper leaflet 1
2642 CHOL (Melo2015) ( 28.4%)
810 PIPC (Wassenaar2015) ( 8.7%)
569 POPE (Ingólfsson2014) ( 6.1%)
550 POPC (Ingólfsson2014) ( 5.9%)
522 PAPE (Wassenaar2015) ( 5.6%)
461 PAPS (Wassenaar2015) ( 5.0%)
380 PIPE (Wassenaar2015) ( 4.1%)
332 DAPE (Wassenaar2015) ( 3.6%)
279 DPSM (Wassenaar2015) ( 3.0%)
200 POPS (Ingólfsson2014) ( 2.2%)
190 DOPE (Ingólfsson2014) ( 2.0%)
190 PUPE (Ingólfsson2014) ( 2.0%)
180 PUPS (Ingólfsson2014) ( 1.9%)
174 PNSM (Wassenaar2015) ( 1.9%)
137 POPI (Ingólfsson2014) ( 1.5%)
129 PAPC (Wassenaar2015) ( 1.4%)
121 XNSM (Wassenaar2015) ( 1.3%)
120 PIPI (López2013) ( 1.3%)
120 PAPI (López2013) ( 1.3%)
113 DXSM (Wassenaar2015) ( 1.2%)
95 PQPE (Wassenaar2015) ( 1.0%)
95 DUPE (Ingólfsson2014) ( 1.0%)
86 BNSM (Wassenaar2015) ( 0.9%)
79 PIPS (Wassenaar2015) ( 0.8%)
61 DBSM (Wassenaar2015) ( 0.7%)
51 PUPI (Ingólfsson2014) ( 0.5%)
49 DOPC (Ingólfsson2014) ( 0.5%)
48 POI1 (Ingólfsson2014) ( 0.5%)
48 POI6 (Ingólfsson2014) ( 0.5%)
48 POI7 (Ingólfsson2014) ( 0.5%)
46 POPA (Ingólfsson2014) ( 0.5%)
39 PQPS (Wassenaar2015) ( 0.4%)
39 PIPA (Wassenaar2015) ( 0.4%)
39 PAPA (Wassenaar2015) ( 0.4%)
32 PEPC (Ingólfsson2014) ( 0.3%)
32 PUPC (Ingólfsson2014) ( 0.3%)
20 DAPS (Wassenaar2015) ( 0.2%)
20 DUPS (Ingólfsson2014) ( 0.2%)
17 POSM (Ingólfsson2014) ( 0.2%)
17 PGSM (Wassenaar2015) ( 0.2%)
17 PADG (Wassenaar2015) ( 0.2%)
17 PUPA (Ingólfsson2014) ( 0.2%)
16 DAPC (Wassenaar2015) ( 0.2%)
13 PNCE (Wassenaar2015) ( 0.1%)
13 PODG (Ingólfsson2014) ( 0.1%)
12 DPCE (Wassenaar2015) ( 0.1%)
10 PIDG (Wassenaar2015) ( 0.1%)
9 XNCE (Wassenaar2015) ( 0.1%)
8 PUDG (Ingólfsson2014) ( 0.1%)
6 DXCE (Wassenaar2015) ( 0.1%)
Lower leaflet 1
3118 CHOL (Melo2015) ( 31.4%)
1772 PIPC (Ingólfsson2014_Z) ( 17.8%)
1205 POPC (Ingólfsson2014_Z) ( 12.1%)
611 DPSM (Wassenaar2015) ( 6.1%)
381 PNSM (Wassenaar2015) ( 3.8%)
283 PAPC (Wassenaar2015) ( 2.8%)
267 XNSM (Wassenaar2015) ( 2.7%)
247 DXSM (Wassenaar2015) ( 2.5%)
191 BNSM (Wassenaar2015) ( 1.9%)
135 POPE (Ingólfsson2014) ( 1.4%)
133 DBSM (Wassenaar2015) ( 1.3%)
124 PAPE (Wassenaar2015) ( 1.2%)
106 DOPC (Ingólfsson2014) ( 1.1%)
90 PIPE (Wassenaar2015) ( 0.9%)
89 DPG1 (Ingólfsson2014) ( 0.9%)
89 DPG3 (Ingólfsson2014) ( 0.9%)
78 DAPE (Wassenaar2015) ( 0.8%)
71 PEPC (Ingólfsson2014) ( 0.7%)
71 PUPC (Ingólfsson2014) ( 0.7%)
64 PNG1 (Ingólfsson2014) ( 0.6%)
64 PNG3 (Ingólfsson2014) ( 0.6%)
64 P0PC (Ingólfsson2014) ( 0.6%)
51 DXG1 (Ingólfsson2014) ( 0.5%)
51 XNG1 (Ingólfsson2014) ( 0.5%)
51 DXG3 (Ingólfsson2014) ( 0.5%)
51 XNG3 (Ingólfsson2014) ( 0.5%)
44 DOPE (Ingólfsson2014) ( 0.4%)
44 PUPE (Ingólfsson2014) ( 0.4%)
38 POSM (Ingólfsson2014) ( 0.4%)
38 PGSM (Wassenaar2015) ( 0.4%)
35 DAPC (Wassenaar2015) ( 0.4%)
34 DPCE (Wassenaar2015) ( 0.3%)
29 PODG (Ingólfsson2014) ( 0.3%)
28 PIDG (Wassenaar2015) ( 0.3%)
22 PQPE (Wassenaar2015) ( 0.2%)
22 DUPE (Ingólfsson2014) ( 0.2%)
21 PADG (Wassenaar2015) ( 0.2%)
20 DXCE (Wassenaar2015) ( 0.2%)
20 O0PC (Ingólfsson2014) ( 0.2%)
19 PNCE (Wassenaar2015) ( 0.2%)
18 I0PC (Ingólfsson2014) ( 0.2%)
18 A0PC (Ingólfsson2014) ( 0.2%)
17 XNCE (Wassenaar2015) ( 0.2%)
7 U0PC (Ingólfsson2014) ( 0.1%)
7 PUDG (Ingólfsson2014) ( 0.1%)
Curator: Jean-Marc Crowet on Dec. 11, 2020

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