CodeU3G
Name(2R)-3-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-{[(9Z)-octadec-9-enoyl]oxy}propyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate
Synonyms
Identifier[(2~{R})-3-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-2-[(~{Z})-octadec-9-enoyl]oxy-propyl] (5~{Z},8~{Z},11~{Z},14~{Z})-icosa-5,8,11,14-tetraenoate
FormulaC43 H76 N O8 P
Molecular Weight766.039
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COP(=O)(O)OCCN
PubChem52924645
Formal Charge0
Total Atoms129
Total Chiral Atoms1
Total Bonds128
Total Aromatic Bonds0
Networks1
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This ligand is also present in the following network:
Show PDB Class SubFamily Type SubType Species Orthosteric Ligand Other Ligand(s) Protein Partners Resolution Date DOI
6WIV C Aminoacid GABAB GABAB1; GABAB2 Homo sapiens - PubChem 52923113; PubChem 52924645 - 3.3 2020-07-01 10.1038/s41586-020-2452-0

A 2D representation of the interactions of U3G in 6WIV
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:C637 R:R:T848 3.38 0 No No 5 8 2 1
R:R:I841 R:R:V644 4.61 3 No No 7 8 1 2
R:R:P646 R:R:R666 5.76 0 No Yes 6 8 2 1
R:R:R666 R:R:V662 2.62 3 Yes No 8 5 1 2
R:R:C663 R:R:R666 2.79 3 No Yes 9 8 2 1
R:R:C663 R:R:C761 7.28 3 No No 9 9 2 2
R:R:C761 R:R:R666 2.79 3 No Yes 9 8 2 1
R:R:R666 X:X:?1022 13.52 3 Yes Yes 8 0 1 0
R:R:L667 R:R:W668 3.42 3 Yes Yes 5 6 1 2
R:R:L667 R:R:L725 4.15 3 Yes Yes 5 8 1 2
R:R:L667 R:R:W728 5.69 3 Yes Yes 5 9 1 2
R:R:L667 X:X:?1022 5.13 3 Yes Yes 5 0 1 0
R:R:I841 R:R:L670 2.85 3 No Yes 7 8 1 1
R:R:L670 X:X:?1022 7.7 3 Yes Yes 8 0 1 0
R:R:F674 R:R:Y678 7.22 3 Yes Yes 9 8 1 2
R:R:F674 R:R:K777 6.2 3 Yes Yes 9 9 1 1
R:R:F674 R:R:L781 6.09 3 Yes Yes 9 8 1 2
R:R:C816 R:R:F674 4.19 3 No Yes 8 9 1 1
R:R:F674 X:X:?1022 12.8 3 Yes Yes 9 0 1 0
R:R:G677 X:X:?1022 3.17 0 No Yes 7 0 1 0
R:R:L781 R:R:Y678 15.24 3 Yes Yes 8 8 2 2
R:R:D721 R:R:L725 2.71 3 Yes Yes 9 8 2 2
R:R:D721 R:R:F773 7.17 3 Yes Yes 9 6 2 1
R:R:D721 R:R:K777 8.3 3 Yes Yes 9 9 2 1
R:R:F773 R:R:T724 6.49 3 Yes No 6 6 1 2
R:R:L725 R:R:W728 3.42 3 Yes Yes 8 9 2 2
R:R:S763 R:R:W728 6.18 3 No Yes 8 9 2 2
R:R:M766 R:R:W728 3.49 3 Yes Yes 5 9 1 2
R:R:E739 R:R:L758 6.63 3 No Yes 4 5 2 2
R:R:E739 R:R:H760 7.39 3 No No 4 4 2 1
R:R:H760 R:R:L758 5.14 3 No Yes 4 5 1 2
R:R:H760 X:X:?1022 11.92 3 No Yes 4 0 1 0
R:R:M766 R:R:S762 4.6 3 Yes No 5 5 1 2
R:R:M766 R:R:S763 6.13 3 Yes No 5 8 1 2
R:R:L770 R:R:M766 5.65 0 No Yes 5 5 2 1
R:R:M766 X:X:?1022 3.5 3 Yes Yes 5 0 1 0
R:R:F773 R:R:K777 8.69 3 Yes Yes 6 9 1 1
R:R:F773 X:X:?1022 4.52 3 Yes Yes 6 0 1 0
R:R:A820 R:R:Y774 2.67 3 No No 7 6 1 1
R:R:Y774 X:X:?1022 11.6 3 No Yes 6 0 1 0
R:R:K777 R:R:Y776 8.36 3 Yes No 9 7 1 2
R:R:K777 X:X:?1022 4.36 3 Yes Yes 9 0 1 0
R:R:C816 R:R:L781 3.17 3 No Yes 8 8 1 2
R:R:L815 R:R:S844 6.01 0 No No 7 7 2 1
R:R:C816 X:X:?1022 6.87 3 No Yes 8 0 1 0
R:R:A840 R:R:T819 5.03 0 No No 6 8 1 2
R:R:A820 R:R:P821 3.74 3 No No 7 6 1 2
R:R:A820 X:X:?1022 4.87 3 No Yes 7 0 1 0
R:R:I841 X:X:?1022 2.65 3 No Yes 7 0 1 0
R:R:T848 X:X:?1022 5.47 0 No Yes 8 0 1 0
R:R:G636 R:R:G677 2.11 0 No No 9 7 2 1
R:R:A640 X:X:?1022 1.95 0 No Yes 7 0 1 0
R:R:A840 X:X:?1022 1.95 0 No Yes 6 0 1 0
R:R:S844 X:X:?1022 1.86 0 No Yes 7 0 1 0
R:R:T823 X:X:?1022 1.82 0 No Yes 7 0 1 0
R:R:G671 R:R:L670 1.71 0 No Yes 6 8 2 1
R:R:G671 R:R:L725 1.71 0 No Yes 6 8 2 2
R:R:L817 X:X:?1022 1.71 0 No Yes 4 0 1 0
R:R:A837 R:R:T823 1.68 0 No No 5 7 2 1
R:R:A643 R:R:L670 1.58 0 No Yes 8 8 2 1
R:R:G778 X:X:?1022 1.06 0 No Yes 7 0 1 0
StatisticsValue
Average Number Of Links20.00
Average Number Of Links With An Hub7.00
Average Interaction Strength5.42
Average Nodes In Shell47.00
Average Hubs In Shell15.00
Average Links In Shell61.00
Average Links Mediated by Hubs In Shell51.00
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 Links20.00
Average Number Of Links With An Hub7.00
Average Interaction Strength5.42
Average Nodes In Shell47.00
Average Hubs In Shell15.00
Average Links In Shell61.00
Average Links Mediated by Hubs In Shell51.00

missing image


Physico-chemical properties of the nodes interacting with this ligand

(Click to enlarge 🔍)

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Location of the nodes interacting with this ligand

(Click to enlarge 🔍)