CodePEE
NamePhosphatidylethanolamine
SynonymsDOPE
Identifier[(2~{R})-3-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-2-[(~{Z})-octadec-9-enoyl]oxy-propyl] (~{Z})-octadec-9-enoate
FormulaC41 H78 N O8 P
Molecular Weight744.034
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCC/C=C\CCCCCCCC
PubChem44251425
Formal Charge0
Total Atoms129
Total Chiral Atoms1
Total Bonds128
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
7SHE C Orphan C orphans GPR158 Homo sapiens - PI; PE - 3.4 2021-12-01 10.1126/science.abl4732

A 2D representation of the interactions of PEE in 7SHE
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:F492 R:R:R488 3.21 1 Yes Yes 9 9 1 2
R:R:E586 R:R:R488 4.65 1 Yes Yes 9 9 1 2
R:R:F492 R:R:Y496 8.25 1 Yes Yes 9 9 1 2
R:R:E586 R:R:F492 16.32 1 Yes Yes 9 9 1 1
R:R:F492 R:R:L590 3.65 1 Yes No 9 9 1 2
R:R:E620 R:R:F492 5.83 1 Yes Yes 9 9 2 1
R:R:F492 W:W:?1 3.84 1 Yes Yes 9 0 1 0
R:R:E620 R:R:Y496 19.08 1 Yes Yes 9 9 2 2
R:R:F589 R:R:T500 3.89 1 No Yes 8 7 1 2
R:R:T500 R:R:W592 3.64 1 Yes Yes 7 9 2 2
R:R:L501 R:R:M529 2.83 0 No No 9 7 2 1
R:R:H504 R:R:K508 15.72 1 Yes Yes 9 8 2 2
R:R:H504 R:R:Y520 2.18 1 Yes Yes 9 8 2 2
R:R:H504 R:R:W592 3.17 1 Yes Yes 9 9 2 2
R:R:H504 X:X:?2 6.98 1 Yes Yes 9 0 2 1
R:R:K508 R:R:Y520 2.39 1 Yes Yes 8 8 2 2
R:R:K508 X:X:?2 5.1 1 Yes Yes 8 0 2 1
R:R:R525 R:R:Y520 4.12 0 No Yes 6 8 1 2
R:R:M529 R:R:Y520 3.59 0 No Yes 7 8 1 2
R:R:R525 R:R:R528 15.99 0 No No 6 6 1 2
R:R:R525 W:W:?1 4.59 0 No Yes 6 0 1 0
R:R:M529 W:W:?1 8.91 0 No Yes 7 0 1 0
R:R:V532 W:W:?1 4.69 0 No Yes 7 0 1 0
R:R:I533 W:W:?1 4.5 0 No Yes 8 0 1 0
R:R:L535 W:W:?1 2.62 0 No Yes 9 0 1 0
R:R:V536 W:W:?1 8.45 0 No Yes 7 0 1 0
R:R:L541 R:R:V537 2.98 1 Yes No 9 9 2 1
R:R:V537 W:W:?1 1.88 0 No Yes 9 0 1 0
R:R:W539 S:S:W578 2.81 1 Yes Yes 9 9 1 2
R:R:W539 S:S:M581 10.47 1 Yes Yes 9 9 1 2
R:R:W539 S:S:T582 2.43 1 Yes No 9 8 1 2
R:R:W539 S:S:A585 3.89 1 Yes No 9 9 1 1
R:R:W539 W:W:?1 12.92 1 Yes Yes 9 0 1 0
R:R:F540 R:R:W578 6.01 0 Yes Yes 9 9 2 2
R:R:F540 X:X:?2 4.41 0 Yes Yes 9 0 2 1
R:R:W578 S:S:W539 1.87 1 Yes Yes 9 9 2 2
R:R:W578 S:S:F540 4.01 1 Yes Yes 9 9 2 1
R:R:W578 S:S:W578 1.87 1 Yes Yes 9 9 2 2
R:R:A585 S:S:W539 3.89 1 No Yes 9 9 2 2
R:R:A585 X:X:?2 2.85 1 No Yes 9 0 2 1
R:R:E586 R:R:H628 6.15 1 Yes Yes 9 8 1 2
R:R:E586 W:W:?1 4.17 1 Yes Yes 9 0 1 0
R:R:L588 X:X:?2 2.51 0 No Yes 8 0 2 1
R:R:F589 R:R:W592 4.01 1 No Yes 8 9 1 2
R:R:F589 W:W:?1 3.07 1 No Yes 8 0 1 0
R:R:E620 R:R:L590 5.3 1 Yes No 9 9 2 2
R:R:W592 X:X:?2 11.68 1 Yes Yes 9 0 2 1
S:S:F540 S:S:L489 2.44 1 Yes No 9 7 1 1
S:S:L489 S:S:L541 4.15 1 No No 7 9 1 2
S:S:L489 W:W:?1 2.62 1 No Yes 7 0 1 0
S:S:F492 X:X:?2 2.2 1 Yes Yes 9 0 2 1
S:S:G497 S:S:T500 1.82 1 No Yes 9 7 2 2
S:S:F589 S:S:G497 3.01 1 Yes No 8 9 1 2
S:S:F589 S:S:T500 2.59 1 Yes Yes 8 7 1 2
S:S:T500 S:S:W592 4.85 1 Yes Yes 7 9 2 1
S:S:L501 S:S:M529 4.24 0 Yes No 9 7 2 1
S:S:I533 S:S:L501 2.85 1 No Yes 8 9 2 2
S:S:H504 S:S:K508 5.24 1 Yes No 9 8 1 1
S:S:H504 S:S:W592 2.12 1 Yes Yes 9 9 1 1
S:S:H504 S:S:L596 3.86 1 Yes Yes 9 9 1 2
S:S:H504 W:W:?1 5.67 1 Yes Yes 9 0 1 0
S:S:K508 S:S:Y520 8.36 1 No Yes 8 8 1 2
S:S:K508 W:W:?1 5.33 1 No Yes 8 0 1 0
S:S:M529 W:W:?1 3.56 1 No Yes 7 0 1 0
S:S:M529 X:X:?2 9.38 1 No Yes 7 0 1 1
S:S:V532 W:W:?1 1.88 1 No Yes 7 0 1 0
S:S:V532 X:X:?2 4.49 1 No Yes 7 0 1 1
S:S:F589 S:S:I533 2.51 1 Yes No 8 8 1 2
S:S:I533 X:X:?2 3.44 1 No Yes 8 0 2 1
S:S:L535 X:X:?2 2.51 0 No Yes 9 0 2 1
S:S:V536 W:W:?1 1.88 1 No Yes 7 0 1 0
S:S:V536 X:X:?2 5.39 1 No Yes 7 0 1 1
S:S:V537 W:W:?1 1.88 0 No Yes 9 0 1 0
S:S:W539 X:X:?2 11.68 1 Yes Yes 9 0 2 1
S:S:F540 S:S:W544 3.01 1 Yes Yes 9 9 1 2
S:S:F540 S:S:W578 9.02 1 Yes Yes 9 9 1 2
S:S:F540 S:S:T582 2.59 1 Yes No 9 8 1 2
S:S:F540 W:W:?1 3.84 1 Yes Yes 9 0 1 0
S:S:W544 S:S:W578 6.56 1 Yes Yes 9 9 2 2
S:S:M581 S:S:W578 2.33 1 Yes Yes 9 9 2 2
S:S:L588 S:S:V584 2.98 0 No No 8 6 1 2
S:S:A585 W:W:?1 3.97 1 No Yes 9 0 1 0
S:S:L588 W:W:?1 2.62 0 No Yes 8 0 1 0
S:S:F589 S:S:W592 5.01 1 Yes Yes 8 9 1 1
S:S:F589 W:W:?1 5.37 1 Yes Yes 8 0 1 0
S:S:F589 X:X:?2 2.2 1 Yes Yes 8 0 1 1
S:S:L596 S:S:W592 9.11 1 Yes Yes 9 9 2 1
S:S:W592 W:W:?1 10.76 1 Yes Yes 9 0 1 0
W:W:?1 X:X:?2 30.51 1 Yes Yes 0 0 0 1
R:R:A493 R:R:V537 1.7 0 No No 8 9 2 1
S:S:A493 S:S:V537 1.7 0 No No 8 9 2 1
StatisticsValue
Average Number Of Links24.00
Average Number Of Links With An Hub8.00
Average Interaction Strength5.81
Average Nodes In Shell59.00
Average Hubs In Shell30.00
Average Links In Shell91.00
Average Links Mediated by Hubs In Shell85.00
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
7SHF C Orphan C orphans GPR158 Homo sapiens - PI; PE B5; RGS7 3.4 2021-12-01 10.1126/science.abl4732

A 2D representation of the interactions of PEE in 7SHF
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
S:S:F540 S:S:L489 2.44 2 Yes No 9 7 1 2
S:S:L489 S:S:L541 2.77 2 No Yes 7 9 2 2
S:S:L489 S:S:T582 5.9 2 No No 7 8 2 2
S:S:E586 S:S:F492 5.83 2 Yes Yes 9 9 2 2
S:S:F492 S:S:F589 2.14 2 Yes No 9 8 2 2
S:S:F492 W:W:?1 5.14 2 Yes Yes 9 0 2 1
S:S:T500 S:S:W592 6.06 0 No Yes 7 9 2 1
S:S:L501 S:S:M529 4.24 0 No Yes 9 7 2 1
S:S:I533 S:S:L501 2.85 0 No No 8 9 2 2
S:S:H504 S:S:L596 3.86 0 No Yes 9 9 1 2
S:S:H504 X:X:?2 3.24 0 No Yes 9 0 1 0
S:S:M529 S:S:R525 4.96 2 Yes Yes 7 6 1 2
S:S:R525 W:W:?1 2.2 2 Yes Yes 6 0 2 1
S:S:M529 W:W:?1 5.97 2 Yes Yes 7 0 1 1
S:S:M529 X:X:?2 2.67 2 Yes Yes 7 0 1 0
S:S:V532 W:W:?1 7.19 0 No Yes 7 0 2 1
S:S:I533 W:W:?1 2.58 0 No Yes 8 0 2 1
S:S:V536 W:W:?1 7.19 0 No Yes 7 0 2 1
R:R:F540 S:S:W539 2 2 Yes Yes 9 9 2 2
R:R:A585 S:S:W539 5.19 2 No Yes 9 9 2 2
S:S:W539 W:W:?1 11.68 2 Yes Yes 9 0 2 1
S:S:F540 S:S:L541 3.65 2 Yes Yes 9 9 1 2
S:S:F540 S:S:W544 4.01 2 Yes Yes 9 9 1 2
S:S:F540 S:S:W578 7.02 2 Yes Yes 9 9 1 2
S:S:F540 S:S:T582 2.59 2 Yes No 9 8 1 2
R:R:W578 S:S:F540 3.01 2 Yes Yes 9 9 2 1
S:S:F540 X:X:?2 3.07 2 Yes Yes 9 0 1 0
S:S:W544 S:S:W578 6.56 2 Yes Yes 9 9 2 2
R:R:F540 S:S:W578 4.01 2 Yes Yes 9 9 2 2
R:R:W578 S:S:W578 7.5 2 Yes Yes 9 9 2 2
R:R:W539 S:S:M581 8.14 2 No No 9 9 1 2
R:R:W539 S:S:A585 3.89 2 No No 9 9 1 1
S:S:A585 X:X:?2 4.96 2 No Yes 9 0 1 0
S:S:E586 W:W:?1 3.2 2 Yes Yes 9 0 2 1
S:S:F589 S:S:W592 5.01 2 No Yes 8 9 2 1
S:S:F589 W:W:?1 5.14 2 No Yes 8 0 2 1
S:S:L596 S:S:W592 5.69 0 Yes Yes 9 9 2 1
S:S:W592 X:X:?2 12.92 0 Yes Yes 9 0 1 0
R:R:F492 R:R:R488 3.21 2 Yes Yes 9 9 1 2
R:R:E586 R:R:R488 5.82 2 Yes Yes 9 9 2 2
R:R:F492 R:R:Y496 9.28 2 Yes Yes 9 9 1 2
R:R:E586 R:R:F492 11.66 2 Yes Yes 9 9 2 1
R:R:F492 R:R:L590 4.87 2 Yes No 9 9 1 2
R:R:F492 X:X:?2 3.07 2 Yes Yes 9 0 1 0
R:R:A493 R:R:V537 5.09 2 No No 8 9 1 1
R:R:A493 X:X:?2 1.99 2 No Yes 8 0 1 0
R:R:F589 R:R:G497 3.01 2 Yes No 8 9 1 2
R:R:L501 R:R:M529 4.24 0 Yes No 9 7 2 1
R:R:I533 R:R:L501 2.85 2 No Yes 8 9 1 2
R:R:L501 R:R:W592 2.28 0 Yes Yes 9 9 2 2
R:R:H504 R:R:K508 6.55 2 Yes No 9 8 2 2
R:R:H504 R:R:Y520 5.44 2 Yes Yes 9 8 2 2
R:R:H504 W:W:?1 3.88 2 Yes Yes 9 0 2 1
R:R:K508 R:R:Y520 11.94 2 No Yes 8 8 2 2
R:R:K508 W:W:?1 7.66 2 No Yes 8 0 2 1
R:R:R525 R:R:Y520 6.17 0 No Yes 6 8 1 2
R:R:Y520 W:W:?1 4.95 2 Yes Yes 8 0 2 1
R:R:R525 R:R:R528 7.46 0 No No 6 6 1 2
R:R:R525 X:X:?2 4.59 0 No Yes 6 0 1 0
R:R:M529 W:W:?1 4.26 2 No Yes 7 0 1 1
R:R:M529 X:X:?2 7.12 2 No Yes 7 0 1 0
R:R:V532 X:X:?2 4.69 0 No Yes 7 0 1 0
R:R:F589 R:R:I533 2.51 2 Yes No 8 8 1 1
R:R:I533 X:X:?2 5.39 2 No Yes 8 0 1 0
R:R:L535 X:X:?2 3.49 0 No Yes 9 0 1 0
R:R:V536 W:W:?1 2.7 2 No Yes 7 0 1 1
R:R:V536 X:X:?2 7.51 2 No Yes 7 0 1 0
R:R:V537 W:W:?1 2.7 2 No Yes 9 0 1 1
R:R:V537 X:X:?2 4.69 2 No Yes 9 0 1 0
R:R:W539 X:X:?2 12.2 2 No Yes 9 0 1 0
R:R:F540 R:R:W578 7.02 2 Yes Yes 9 9 2 2
R:R:F540 W:W:?1 3.67 2 Yes Yes 9 0 2 1
R:R:A585 W:W:?1 2.85 2 No Yes 9 0 2 1
R:R:F589 R:R:W592 3.01 2 Yes Yes 8 9 1 2
R:R:F589 X:X:?2 5.37 2 Yes Yes 8 0 1 0
R:R:W592 W:W:?1 9.62 0 Yes Yes 9 0 2 1
W:W:?1 X:X:?2 33.14 2 Yes Yes 0 0 1 0
S:S:L535 W:W:?1 1.67 0 No Yes 9 0 2 1
R:R:L588 W:W:?1 1.67 0 No Yes 8 0 2 1
StatisticsValue
Average Number Of Links17.00
Average Number Of Links With An Hub6.00
Average Interaction Strength7.07
Average Nodes In Shell51.00
Average Hubs In Shell24.00
Average Links In Shell79.00
Average Links Mediated by Hubs In Shell73.00
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 Links20.50
Average Number Of Links With An Hub7.00
Average Interaction Strength6.44
Average Nodes In Shell55.00
Average Hubs In Shell27.00
Average Links In Shell85.00
Average Links Mediated by Hubs In Shell79.00

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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 🔍)