CodeAW9
Name(2Z)-4-methoxy-4-oxobut-2-enoic acid
Synonyms
Identifier4-methoxy-4-oxidanylidene-but-2-enoic acid
FormulaC5 H6 O4
Molecular Weight130.099
SMILESCOC(=O)C=CC(=O)O
PubChem5354456
Formal Charge0
Total Atoms15
Total Chiral Atoms0
Total Bonds14
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
8JIM A Alicarboxylic acid Hydroxycarboxylic acid HCA2 Homo Sapiens MMF - Gi1/Beta1/Gamma2 2.98 2023-09-06 10.1016/j.molcel.2023.07.030

A 2D representation of the interactions of AW9 in 8JIM
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:I26 R:R:L30 4.28 4 No Yes 5 5 2 2
R:R:I26 R:R:Y87 4.84 4 No Yes 5 6 2 1
R:R:L30 R:R:Y87 11.72 4 Yes Yes 5 6 2 1
R:R:L30 R:R:S281 6.01 4 Yes No 5 6 2 2
R:R:E37 R:R:Y284 5.61 0 Yes Yes 7 7 2 1
R:R:L80 R:R:Y284 3.52 23 No Yes 8 7 2 1
R:R:L83 R:R:Y87 5.86 4 No Yes 6 6 1 1
R:R:L107 R:R:L83 4.15 4 No No 6 6 1 1
L:L:?1 R:R:L83 7.13 4 Yes No 0 6 0 1
R:R:W91 R:R:Y87 5.79 0 Yes Yes 4 6 2 1
L:L:?1 R:R:Y87 7.25 4 Yes Yes 0 6 0 1
R:R:S178 R:R:W91 4.94 0 No Yes 4 4 1 2
R:R:L104 R:R:M167 4.24 4 Yes No 5 3 1 2
R:R:C177 R:R:L104 3.17 4 No Yes 9 5 2 1
R:R:L104 R:R:S179 4.5 4 Yes Yes 5 4 1 1
L:L:?1 R:R:L104 4.28 4 Yes Yes 0 5 0 1
L:L:?1 R:R:L107 11.41 4 Yes No 0 6 0 1
R:R:E196 R:R:R111 8.14 0 Yes No 5 8 2 1
L:L:?1 R:R:R111 12.52 4 Yes No 0 8 0 1
L:L:?1 R:R:S178 9.29 4 Yes No 0 4 0 1
R:R:F180 R:R:S179 3.96 4 Yes Yes 3 4 1 1
R:R:H189 R:R:S179 5.58 4 No Yes 5 4 2 1
L:L:?1 R:R:S179 3.1 4 Yes Yes 0 4 0 1
R:R:F180 R:R:H189 7.92 4 Yes No 3 5 1 2
R:R:F180 R:R:R251 3.21 4 Yes Yes 3 5 1 2
R:R:F180 R:R:F276 4.29 4 Yes Yes 3 4 1 2
R:R:F180 R:R:L280 2.44 4 Yes Yes 3 5 1 1
L:L:?1 R:R:F180 3.77 4 Yes Yes 0 3 0 1
R:R:E196 R:R:F193 3.5 0 Yes Yes 5 6 2 2
R:R:F193 R:R:L280 2.44 0 Yes Yes 6 5 2 1
R:R:F276 R:R:R251 12.83 4 Yes Yes 4 5 2 2
R:R:F276 R:R:L280 8.53 4 Yes Yes 4 5 2 1
L:L:?1 R:R:L280 7.13 4 Yes Yes 0 5 0 1
R:R:S281 R:R:Y284 3.82 4 No Yes 6 7 2 1
L:L:?1 R:R:Y284 8.46 4 Yes Yes 0 7 0 1
StatisticsValue
Average Number Of Links10.00
Average Number Of Links With An Hub6.00
Average Interaction Strength7.43
Average Nodes In Shell24.00
Average Hubs In Shell14.00
Average Links In Shell35.00
Average Links Mediated by Hubs In Shell34.00
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 Links10.00
Average Number Of Links With An Hub6.00
Average Interaction Strength7.43
Average Nodes In Shell24.00
Average Hubs In Shell14.00
Average Links In Shell35.00
Average Links Mediated by Hubs In Shell34.00

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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 🔍)