Code3HO
Name(3S)-3-hydroxyoctanoic acid
Synonyms
Identifier
FormulaC8 H16 O3
Molecular Weight160.211
SMILES
PubChem11367166
Formal Charge0
Total Atoms27
Total Chiral Atoms1
Total Bonds26
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
8JEF A Alicarboxylic acid Hydroxycarboxylic Acid HCA3 Homo Sapiens (3S)-3-hydroxyoctanoic acid - Gi1/Beta1/Gamma2 2.96 2024-12-18 doi.org/10.1016/j.celrep.2024.114895

A 2D representation of the interactions of 3HO in 8JEF
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:R22 5.96 3 Yes Yes 0 5 0 1
L:L:?1 R:R:V83 11.7 3 Yes No 0 6 0 1
L:L:?1 R:R:F107 10.76 3 Yes Yes 0 6 0 1
L:L:?1 R:R:I178 4.2 3 Yes No 0 3 0 1
L:L:?1 R:R:F180 4.78 3 Yes Yes 0 4 0 1
L:L:?1 R:R:F277 2.39 3 Yes Yes 0 5 0 1
L:L:?1 R:R:Y284 5.75 3 Yes Yes 0 7 0 1
R:R:F25 R:R:R22 2.14 3 Yes Yes 5 5 2 1
R:R:F277 R:R:R22 26.72 3 Yes Yes 5 5 1 1
R:R:L280 R:R:R22 3.64 3 Yes Yes 5 5 2 1
R:R:F25 R:R:V29 14.42 3 Yes Yes 5 4 2 2
R:R:F25 R:R:L274 9.74 3 Yes No 5 3 2 2
R:R:F25 R:R:F277 8.57 3 Yes Yes 5 5 2 1
R:R:F277 R:R:V29 6.55 3 Yes Yes 5 4 1 2
R:R:C79 R:R:V103 3.42 3 No Yes 6 5 2 2
R:R:C79 R:R:F107 8.38 3 No Yes 6 6 2 1
R:R:L80 R:R:V83 4.47 0 Yes No 8 6 2 1
R:R:F107 R:R:V103 2.62 3 Yes Yes 6 5 1 2
R:R:F107 R:R:N110 2.42 3 Yes Yes 6 8 1 2
R:R:F107 R:R:Y284 16.5 3 Yes Yes 6 7 1 1
R:R:N110 R:R:Y284 4.65 3 Yes Yes 8 7 2 1
R:R:I178 R:R:S181 10.84 0 No No 3 5 1 2
R:R:F180 R:R:S179 9.25 0 Yes No 4 5 1 2
R:R:F180 R:R:H189 7.92 0 Yes No 4 5 1 2
R:R:F180 R:R:F276 2.14 0 Yes Yes 4 4 1 2
R:R:F277 R:R:L274 3.65 3 Yes No 5 3 1 2
R:R:F276 R:R:L280 7.31 0 Yes Yes 4 5 2 2
R:R:L280 R:R:T283 4.42 3 Yes No 5 8 2 2
R:R:L280 R:R:Y284 4.69 3 Yes Yes 5 7 2 1
R:R:T283 R:R:Y284 11.24 3 No Yes 8 7 2 1
StatisticsValue
Average Number Of Links7.00
Average Number Of Links With An Hub5.00
Average Interaction Strength6.51
Average Nodes In Shell21.00
Average Hubs In Shell13.00
Average Links In Shell30.00
Average Links Mediated by Hubs In Shell29.00
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 Links6.50
Average Number Of Links With An Hub3.00
Average Interaction Strength6.85
Average Nodes In Shell18.50
Average Hubs In Shell8.50
Average Links In Shell24.00
Average Links Mediated by Hubs In Shell21.00

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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 🔍)