CodePEF
Name1,2-dihexadecanoyl-sn-glycero-3-phosphoethanolamine
Synonyms3-[AMINOETHYLPHOSPHORYL]-[1,2-DI-PALMITOYL]-SN-GLYCEROL
Identifier[(2R)-1-(2-aminoethoxy-hydroxy-phosphoryl)oxy-3-hexadecanoyloxy-propan-2-yl] hexadecanoate
FormulaC37 H74 N O8 P
Molecular Weight691.959
SMILESCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OCCN)OC(=O)CCCCCCCCCCCCCCC
PubChem11802774
Formal Charge0
Total Atoms121
Total Chiral Atoms2
Total Bonds120
Total Aromatic Bonds0
Networks2
 missing image

This ligand is also present in the following 2 networks:
Show PDB Class SubFamily Type SubType Species Orthosteric Ligand Other Ligand(s) Protein Partners Resolution Date DOI
8JD3 C Aminoacid Metabotropic glutamate mGlu2; mGlu3 Homo sapiens Glutamate HZR; PEF Gi1/Beta1/Gamma2 3.3 2023-06-21 10.1038/s41422-023-00830-2

A 2D representation of the interactions of PEF in 8JD3
colored according to ConSurf Conservation Grade (See documentation): 

 n/a   1    2    3    4    5    6    7    8    9  

(Click to enlarge 🔍)
Node1 Node2 LinkStrength Comm IsNode1Hub? IsNode2Hub? Node1Cons Node2Cons Node1Shell Node2Shell
R:R:I739 R:R:T743 1.52 2 Yes Yes 8 8 2 1
R:R:I739 R:R:M766 8.75 2 Yes Yes 8 9 2 2
R:R:A740 R:R:T743 1.68 0 No Yes 3 8 2 1
R:R:M766 R:R:T743 3.01 2 Yes Yes 9 8 2 1
R:R:T743 X:X:?1 2.09 2 Yes Yes 8 0 1 0
R:R:F747 R:R:R750 5.34 2 No No 8 9 1 1
R:R:F747 X:X:?1 5.18 2 No Yes 8 0 1 0
R:R:K751 R:R:R750 4.95 0 No No 7 9 2 1
R:R:R750 X:X:?1 10.33 2 No Yes 9 0 1 0
R:R:E754 R:R:K760 1.35 0 No No 8 9 2 1
R:R:A759 R:R:N757 1.56 0 No No 9 9 1 2
R:R:A759 X:X:?1 2.23 0 No Yes 9 0 1 0
R:R:F761 R:R:K760 6.2 0 No No 5 9 2 1
R:R:K760 X:X:?1 6.99 0 No Yes 9 0 1 0
R:R:F764 S:S:F773 5.36 2 No Yes 9 9 1 1
R:R:F764 X:X:?1 6.9 2 No Yes 9 0 1 0
R:R:I771 R:R:Y767 13.3 0 Yes Yes 8 9 2 1
R:R:Y767 S:S:T777 6.24 2 Yes Yes 9 8 1 1
R:R:Y767 S:S:I781 2.42 2 Yes Yes 9 9 1 2
R:R:Y767 S:S:V813 5.05 2 Yes Yes 9 8 1 1
R:R:Y767 X:X:?1 15.78 2 Yes Yes 9 0 1 0
R:R:C770 X:X:?1 3.37 0 No Yes 7 0 1 0
R:R:I771 S:S:L809 1.43 0 Yes No 8 7 2 1
S:S:I583 S:S:I805 1.47 0 Yes No 3 8 2 2
S:S:F812 S:S:I583 2.51 2 Yes Yes 7 3 1 2
S:S:G587 S:S:L586 1.71 2 Yes No 6 3 2 2
S:S:F812 S:S:L586 3.65 2 Yes No 7 3 1 2
S:S:G587 S:S:Y626 8.69 2 Yes Yes 6 8 2 2
S:S:F812 S:S:G587 4.52 2 Yes Yes 7 6 1 2
S:S:F812 S:S:Y626 7.22 2 Yes Yes 7 8 1 2
S:S:K769 S:S:N766 2.8 2 Yes No 9 9 1 2
S:S:F770 S:S:K769 8.69 2 No Yes 4 9 1 1
S:S:F773 S:S:K769 3.72 2 Yes Yes 9 9 1 1
S:S:K769 X:X:?1 4 2 Yes Yes 9 0 1 0
S:S:F770 S:S:P821 8.67 2 No No 4 9 1 2
S:S:F770 X:X:?1 6.04 2 No Yes 4 0 1 0
S:S:F773 S:S:Y776 3.09 2 Yes Yes 9 9 1 2
S:S:C817 S:S:F773 1.4 2 No Yes 7 9 1 1
S:S:F773 X:X:?1 11.22 2 Yes Yes 9 0 1 0
S:S:T774 S:S:T778 1.57 2 Yes Yes 9 8 2 2
S:S:C817 S:S:T774 6.76 2 No Yes 7 9 1 2
S:S:T777 S:S:T778 1.57 2 Yes Yes 8 8 1 2
S:S:I781 S:S:T777 1.52 2 Yes Yes 9 8 2 1
S:S:T777 S:S:V813 11.11 2 Yes Yes 8 8 1 1
S:S:T777 X:X:?1 2.09 2 Yes Yes 8 0 1 0
S:S:I781 S:S:V813 3.07 2 Yes Yes 9 8 2 1
S:S:I805 S:S:L809 1.43 0 No No 8 7 2 1
S:S:L809 X:X:?1 1.96 0 No Yes 7 0 1 0
S:S:F812 X:X:?1 3.45 2 Yes Yes 7 0 1 0
S:S:V813 X:X:?1 10.55 2 Yes Yes 8 0 1 0
S:S:C817 X:X:?1 2.25 2 No Yes 7 0 1 0
R:R:L774 X:X:?1 0.98 0 No Yes 5 0 1 0
StatisticsValue
Average Number Of Links17.00
Average Number Of Links With An Hub7.00
Average Interaction Strength5.61
Average Nodes In Shell37.00
Average Hubs In Shell18.00
Average Links In Shell52.00
Average Links Mediated by Hubs In Shell45.00
Physico-chemical properties of the nodes interacting with this ligand (click to enlarge 🔍)
Location of the nodes interacting with this ligand (click to enlarge 🔍)
Show PDB Class SubFamily Type SubType Species Orthosteric Ligand Other Ligand(s) Protein Partners Resolution Date DOI
8JD5 C Aminoacid Metabotropic glutamate mGlu2; mGlu4 Homo sapiens Glutamate BQI; HZE; PEF Gi1/Beta1/Gamma2 3.6 2023-06-21 10.1038/s41422-023-00830-2

A 2D representation of the interactions of PEF in 8JD5
colored according to ConSurf Conservation Grade (See documentation): 

 n/a   1    2    3    4    5    6    7    8    9  

(Click to enlarge 🔍)
Node1 Node2 LinkStrength Comm IsNode1Hub? IsNode2Hub? Node1Cons Node2Cons Node1Shell Node2Shell
R:R:M766 R:R:T743 4.52 3 Yes No 9 8 2 1
R:R:T743 W:W:?2 4.18 0 No Yes 8 0 1 0
R:R:F747 R:R:R750 13.9 0 No No 8 9 2 1
R:R:K751 R:R:R750 2.48 3 No No 7 9 1 1
R:R:R750 W:W:?2 3.44 3 No Yes 9 0 1 0
R:R:K751 W:W:?2 4 3 No Yes 7 0 1 0
R:R:A759 W:W:?2 3.35 0 No Yes 9 0 1 0
R:R:F761 R:R:K760 2.48 0 No No 5 9 2 1
R:R:K760 S:S:F789 4.96 0 No No 9 9 1 2
R:R:K760 W:W:?2 2 0 No Yes 9 0 1 0
R:R:G763 W:W:?2 3.63 0 No Yes 9 0 1 0
R:R:F764 S:S:Y792 2.06 3 No Yes 9 9 1 2
R:R:F764 S:S:T793 2.59 3 No Yes 9 8 1 1
R:R:F764 W:W:?2 6.04 3 No Yes 9 0 1 0
R:R:I771 R:R:Y767 13.3 3 Yes Yes 8 9 2 1
R:R:Y767 S:S:T793 4.99 3 Yes Yes 9 8 1 1
R:R:Y767 S:S:I796 2.42 3 Yes No 9 8 1 2
R:R:Y767 S:S:V797 2.52 3 Yes No 9 8 1 2
R:R:Y767 S:S:V832 3.79 3 Yes No 9 7 1 2
R:R:Y767 W:W:?2 9.13 3 Yes Yes 9 0 1 0
R:R:C770 W:W:?2 6.74 0 No Yes 7 0 1 0
R:R:I771 S:S:I796 4.42 3 Yes No 8 8 2 2
R:R:I771 X:X:?2 3.53 3 Yes Yes 8 0 2 2
R:R:L774 W:W:?2 1.96 0 No Yes 5 0 1 0
R:R:L774 X:X:?2 6.86 0 No Yes 5 0 1 2
S:S:L594 S:S:L828 2.77 0 No Yes 4 6 2 1
S:S:S831 S:S:Y637 5.09 0 No Yes 5 8 1 2
S:S:F789 S:S:K785 4.96 0 No No 9 9 2 1
S:S:K785 W:W:?2 4.99 0 No Yes 9 0 1 0
S:S:M836 S:S:T790 10.54 3 No No 7 9 1 2
S:S:T793 S:S:V832 4.76 3 Yes No 8 7 1 2
S:S:M836 S:S:T793 6.02 3 No Yes 7 8 1 1
S:S:T793 W:W:?2 7.31 3 Yes Yes 8 0 1 0
S:S:L828 S:S:V797 2.98 3 Yes No 6 8 1 2
S:S:V797 X:X:?2 2.46 3 No Yes 8 0 2 2
S:S:L828 S:S:V824 2.98 3 Yes No 6 7 1 2
S:S:V824 X:X:?2 12.3 3 No Yes 7 0 2 2
S:S:L828 W:W:?2 1.96 3 Yes Yes 6 0 1 0
S:S:L828 X:X:?2 4.57 3 Yes Yes 6 0 1 2
S:S:S831 W:W:?2 2.13 0 No Yes 5 0 1 0
S:S:M836 W:W:?2 6.01 3 No Yes 7 0 1 0
StatisticsValue
Average Number Of Links15.00
Average Number Of Links With An Hub3.00
Average Interaction Strength4.46
Average Nodes In Shell30.00
Average Hubs In Shell9.00
Average Links In Shell41.00
Average Links Mediated by Hubs In Shell35.00
Physico-chemical properties of the nodes interacting with this ligand (click to enlarge 🔍)
Location of the nodes interacting with this ligand (click to enlarge 🔍)
StatisticsValue
Average Number Of Links16.00
Average Number Of Links With An Hub5.00
Average Interaction Strength5.04
Average Nodes In Shell33.50
Average Hubs In Shell13.50
Average Links In Shell46.50
Average Links Mediated by Hubs In Shell40.00

missing image


Physico-chemical properties of the nodes interacting with this ligand

(Click to enlarge 🔍)

missing image


Location of the nodes interacting with this ligand

(Click to enlarge 🔍)