CodeLEA
NameN-Valeric Acid
SynonymsVALERIC ACID
Identifierpentanoic acid
FormulaC5 H10 O2
Molecular Weight102.132
SMILESCCCCC(=O)O
PubChem7991
Formal Charge0
Total Atoms17
Total Chiral Atoms0
Total Bonds16
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
8J20 A Lipid Free fatty acid FFA3 Homo Sapiens Valeric acid AR420626 Gi1/Beta1/Gamma2 3.2 2024-01-24 10.1038/s41422-023-00914-z

A 2D representation of the interactions of LEA in 8J20
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:C147 R:R:F93 9.78 0 No Yes 6 5 1 2
R:R:F95 R:R:F96 5.36 0 Yes No 6 5 2 1
L:L:?1 R:R:F96 24.59 13 Yes No 0 5 0 1
R:R:C147 R:R:T97 5.07 0 No No 6 5 1 2
R:R:I99 R:R:Y100 3.63 0 No Yes 7 7 2 1
R:R:M188 R:R:Y100 8.38 13 No Yes 6 7 1 1
R:R:L192 R:R:Y100 8.21 0 Yes Yes 6 7 2 1
R:R:Y100 R:R:Y241 13.9 13 Yes No 7 6 1 1
L:L:?1 R:R:Y100 6.96 13 Yes Yes 0 7 0 1
R:R:H146 R:R:M188 3.94 0 No No 4 6 2 1
R:R:H146 R:R:L192 5.14 0 No Yes 4 6 2 2
L:L:?1 R:R:C147 3.77 13 Yes No 0 6 0 1
L:L:?1 R:R:V150 10.61 13 Yes No 0 5 0 1
R:R:L181 R:R:R185 3.64 0 No Yes 4 5 2 1
R:R:H245 R:R:R185 12.41 13 No Yes 5 5 1 1
R:R:R185 R:R:R258 7.46 13 Yes No 5 5 1 1
L:L:?1 R:R:R185 21.64 13 Yes Yes 0 5 0 1
L:L:?1 R:R:M188 10.07 13 Yes No 0 6 0 1
R:R:A189 R:R:H245 7.32 0 No No 5 5 2 1
R:R:V261 R:R:Y241 6.31 0 No No 6 6 2 1
L:L:?1 R:R:Y241 15.31 13 Yes No 0 6 0 1
L:L:?1 R:R:H245 12.21 13 Yes No 0 5 0 1
R:R:P255 R:R:R258 2.88 0 No No 3 5 2 1
L:L:?1 R:R:R258 5.77 13 Yes No 0 5 0 1
StatisticsValue
Average Number Of Links9.00
Average Number Of Links With An Hub2.00
Average Interaction Strength12.33
Average Nodes In Shell20.00
Average Hubs In Shell6.00
Average Links In Shell24.00
Average Links Mediated by Hubs In Shell19.00
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 Links9.00
Average Number Of Links With An Hub2.00
Average Interaction Strength12.33
Average Nodes In Shell20.00
Average Hubs In Shell6.00
Average Links In Shell24.00
Average Links Mediated by Hubs In Shell19.00

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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 🔍)