CodeUR9
NameMonomethyl fumarate
Synonyms(E)-4-methoxy-4-oxidanylidene-but-2-enoic acid
Identifier
FormulaC5 H6 O4
Molecular Weight130.099
SMILES
PubChem5369209
Formal Charge0
Total Atoms15
Total Chiral Atoms0
Total Bonds14
Total Aromatic Bonds0
Networks2
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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
8JHN A Alicarboxylic acid Hydroxycarboxylic Acid HCA2 Homo Sapiens MMF - Go/Beta1/Gamma2 3.75 2024-03-06 10.1038/s41467-024-46239-2

A 2D representation of the interactions of UR9 in 8JHN
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
L:L:?1 R:R:L83 4.28 2 Yes Yes 0 6 0 1
L:L:?1 R:R:Y87 8.46 2 Yes Yes 0 6 0 1
L:L:?1 R:R:W91 4.7 2 Yes Yes 0 4 0 1
L:L:?1 R:R:L107 17.12 2 Yes Yes 0 6 0 1
L:L:?1 R:R:R111 7.51 2 Yes Yes 0 8 0 1
L:L:?1 R:R:S178 3.1 2 Yes No 0 4 0 1
L:L:?1 R:R:S179 3.1 2 Yes Yes 0 4 0 1
L:L:?1 R:R:F180 13.81 2 Yes Yes 0 3 0 1
L:L:?1 R:R:F277 2.51 2 Yes Yes 0 5 0 1
L:L:?1 R:R:L280 9.99 2 Yes Yes 0 5 0 1
L:L:?1 R:R:Y284 8.46 2 Yes Yes 0 7 0 1
R:R:R22 R:R:W91 4 0 No Yes 3 4 2 1
R:R:F277 R:R:I26 2.51 2 Yes No 5 5 1 2
R:R:L30 R:R:Y87 7.03 0 Yes Yes 5 6 2 1
R:R:E37 R:R:L80 5.3 2 Yes Yes 7 8 2 2
R:R:E37 R:R:Y284 7.86 2 Yes Yes 7 7 2 1
R:R:C79 R:R:L107 4.76 0 No Yes 6 6 2 1
R:R:L80 R:R:L83 4.15 2 Yes Yes 8 6 2 1
R:R:L80 R:R:Y284 5.86 2 Yes Yes 8 7 2 1
R:R:L83 R:R:Y87 2.34 2 Yes Yes 6 6 1 1
R:R:L83 R:R:M103 7.07 2 Yes Yes 6 5 1 2
R:R:L107 R:R:L83 4.15 2 Yes Yes 6 6 1 1
R:R:L83 R:R:Y284 2.34 2 Yes Yes 6 7 1 1
R:R:N86 R:R:W91 3.39 2 No Yes 5 4 2 1
R:R:W91 R:R:Y87 4.82 2 Yes Yes 4 6 1 1
R:R:S178 R:R:W91 3.71 2 No Yes 4 4 1 1
R:R:F277 R:R:W91 8.02 2 Yes Yes 5 4 1 1
R:R:L104 R:R:M103 2.83 0 Yes Yes 5 5 2 2
R:R:L104 R:R:S179 4.5 0 Yes Yes 5 4 2 1
R:R:L107 R:R:R111 4.86 2 Yes Yes 6 8 1 1
R:R:L107 R:R:Y284 8.21 2 Yes Yes 6 7 1 1
R:R:R111 R:R:S114 2.64 2 Yes No 8 9 1 2
R:R:F180 R:R:R111 4.28 2 Yes Yes 3 8 1 1
R:R:L280 R:R:R111 3.64 2 Yes Yes 5 8 1 1
R:R:R111 R:R:T283 7.76 2 Yes No 8 8 1 2
R:R:S178 R:R:S181 3.26 2 No No 4 4 1 2
R:R:F180 R:R:S179 5.28 2 Yes Yes 3 4 1 1
R:R:H189 R:R:S179 4.18 2 Yes Yes 5 4 2 1
R:R:F180 R:R:H189 9.05 2 Yes Yes 3 5 1 2
R:R:F180 R:R:F193 4.29 2 Yes No 3 6 1 2
R:R:F180 R:R:F276 9.65 2 Yes Yes 3 4 1 2
R:R:F180 R:R:L280 7.31 2 Yes Yes 3 5 1 1
R:R:D273 R:R:F276 3.58 2 Yes Yes 4 4 2 2
R:R:D273 R:R:F277 11.94 2 Yes Yes 4 5 2 1
R:R:F276 R:R:F277 2.14 2 Yes Yes 4 5 2 1
R:R:F277 R:R:L280 2.44 2 Yes Yes 5 5 1 1
R:R:L280 R:R:Y284 8.21 2 Yes Yes 5 7 1 1
R:R:T283 R:R:Y284 7.49 0 No Yes 8 7 2 1
StatisticsValue
Average Number Of Links11.00
Average Number Of Links With An Hub10.00
Average Interaction Strength7.55
Average Nodes In Shell28.00
Average Hubs In Shell19.00
Average Links In Shell48.00
Average Links Mediated by Hubs In Shell47.00
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 Links10.50
Average Number Of Links With An Hub9.00
Average Interaction Strength8.38
Average Nodes In Shell27.00
Average Hubs In Shell16.00
Average Links In Shell43.50
Average Links Mediated by Hubs In Shell42.50

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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 🔍)