CodeBUA
NameButyric Acid
SynonymsButyrate
Identifier
FormulaC4 H8 O2
Molecular Weight88.105
SMILES
PubChem264
Formal Charge0
Total Atoms14
Total Chiral Atoms0
Total Bonds13
Total Aromatic Bonds0
Networks6
 missing image

This ligand is also present in the following 6 networks:
Show PDB Class SubFamily Type SubType Species Orthosteric Ligand Other Ligand(s) Protein Partners Resolution Date DOI
8J21 A Lipid Free Fatty Acid FFA3 Homo Sapiens Butyric acid - Gi1/Beta1/Gamma2 3.3 2024-01-24 10.1038/s41422-023-00914-z

A 2D representation of the interactions of BUA in 8J21
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:F96 2.79 0 No Yes 6 5 2 1
R:R:F96 R:R:Y170 11.35 2 Yes No 5 4 1 2
R:R:F96 R:R:Y241 3.09 2 Yes Yes 5 6 1 1
L:L:?1 R:R:F96 27.47 2 Yes Yes 0 5 0 1
R:R:C147 R:R:Y100 4.03 0 No Yes 6 7 2 2
R:R:M188 R:R:Y100 3.59 2 Yes Yes 6 7 1 2
R:R:L192 R:R:Y100 11.72 2 No Yes 6 7 2 2
R:R:Y100 R:R:Y241 4.96 2 Yes Yes 7 6 2 1
R:R:H146 R:R:M188 6.57 0 No Yes 4 6 2 1
L:L:?1 R:R:V150 11.76 2 Yes No 0 4 0 1
R:R:L181 R:R:R185 12.15 2 Yes Yes 4 5 2 1
R:R:H245 R:R:R185 14.67 2 Yes Yes 5 5 1 1
R:R:P255 R:R:R185 2.88 2 Yes Yes 4 5 2 1
R:R:R185 R:R:R258 8.53 2 Yes No 5 4 1 1
L:L:?1 R:R:R185 12.33 2 Yes Yes 0 5 0 1
R:R:L192 R:R:M188 4.24 2 No Yes 6 6 2 1
L:L:?1 R:R:M188 4.78 2 Yes Yes 0 6 0 1
R:R:A189 R:R:H245 4.39 0 No Yes 5 5 2 1
R:R:N242 R:R:Y241 3.49 0 No Yes 8 6 2 1
R:R:H245 R:R:Y241 10.89 2 Yes Yes 5 6 1 1
R:R:V261 R:R:Y241 3.79 0 No Yes 6 6 2 1
R:R:L262 R:R:Y241 4.69 0 No Yes 5 6 2 1
L:L:?1 R:R:Y241 7.93 2 Yes Yes 0 6 0 1
L:L:?1 R:R:H245 8.7 2 Yes Yes 0 5 0 1
L:L:?1 R:R:R258 13.7 2 Yes No 0 4 0 1
R:R:G248 R:R:R185 1.5 0 No Yes 5 5 2 1
StatisticsValue
Average Number Of Links7.00
Average Number Of Links With An Hub5.00
Average Interaction Strength12.38
Average Nodes In Shell20.00
Average Hubs In Shell9.00
Average Links In Shell26.00
Average Links Mediated by Hubs In Shell26.00
Physico-chemical properties of the nodes interacting with this ligand (click to enlarge 🔍)
Location of the nodes interacting with this ligand (click to enlarge 🔍)
Show PDB Class SubFamily Type SubType Species Orthosteric Ligand Other Ligand(s) Protein Partners Resolution Date DOI
8T3S A Lipid Free Fatty Acid FFA2 Homo Sapiens Butyric acid - chim(NtGi2L-Gs-CtGq)/Beta1/Gamma2 3.07 2024-01-24 10.1126/sciadv.adj2384

A 2D representation of the interactions of BUA in 8T3S
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:Y90 19.83 1 Yes Yes 0 5 0 1
L:L:?1 R:R:C141 3.58 1 Yes No 0 7 0 1
L:L:?1 R:R:V144 13.44 1 Yes Yes 0 5 0 1
L:L:?1 R:R:Q148 4.5 1 Yes Yes 0 5 0 1
L:L:?1 R:R:R180 15.07 1 Yes Yes 0 5 0 1
L:L:?1 R:R:L183 6.24 1 Yes Yes 0 5 0 1
L:L:?1 R:R:Y238 11.9 1 Yes Yes 0 7 0 1
L:L:?1 R:R:H242 7.25 1 Yes Yes 0 6 0 1
L:L:?1 R:R:R255 12.33 1 Yes Yes 0 5 0 1
R:R:F89 R:R:K65 8.69 1 Yes Yes 7 7 2 2
R:R:K65 R:R:Y90 8.36 1 Yes Yes 7 5 2 1
R:R:K65 R:R:V259 4.55 1 Yes Yes 7 5 2 2
R:R:S86 R:R:Y90 5.09 0 No Yes 6 5 2 1
R:R:F89 R:R:Y90 6.19 1 Yes Yes 7 5 2 1
R:R:F89 R:R:V259 3.93 1 Yes Yes 7 5 2 2
R:R:Y238 R:R:Y90 13.9 1 Yes Yes 7 5 1 1
R:R:R255 R:R:Y90 5.14 1 Yes Yes 5 5 1 1
R:R:V259 R:R:Y90 3.79 1 Yes Yes 5 5 2 1
R:R:C141 R:R:S91 3.44 0 No No 7 5 1 2
R:R:I93 R:R:Y94 3.63 1 No Yes 8 8 2 2
R:R:I93 R:R:Y238 6.04 1 No Yes 8 7 2 1
R:R:I93 R:R:S262 9.29 1 No No 8 8 2 2
R:R:L183 R:R:Y94 5.86 1 Yes Yes 5 8 1 2
R:R:Y238 R:R:Y94 7.94 1 Yes Yes 7 8 1 2
R:R:H242 R:R:Y94 4.36 1 Yes Yes 6 8 1 2
R:R:Q148 R:R:V144 4.3 1 Yes Yes 5 5 1 1
R:R:V144 R:R:V179 6.41 1 Yes No 5 4 1 2
R:R:L183 R:R:V144 4.47 1 Yes Yes 5 5 1 1
R:R:F168 R:R:Q148 9.37 1 Yes Yes 4 5 2 1
R:R:Q148 R:R:V176 4.3 1 Yes Yes 5 4 1 2
R:R:Q148 R:R:R180 4.67 1 Yes Yes 5 5 1 1
R:R:F168 R:R:V176 3.93 1 Yes Yes 4 4 2 2
R:R:R180 R:R:V176 5.23 1 Yes Yes 5 4 1 2
R:R:H242 R:R:R180 10.16 1 Yes Yes 6 5 1 1
R:R:R180 R:R:S251 3.95 1 Yes No 5 4 1 2
R:R:R180 R:R:R255 19.19 1 Yes Yes 5 5 1 1
R:R:H242 R:R:L183 3.86 1 Yes Yes 6 5 1 1
R:R:R255 R:R:Y238 10.29 1 Yes Yes 5 7 1 1
R:R:S262 R:R:Y238 7.63 1 No Yes 8 7 2 1
R:R:H242 R:R:R255 4.51 1 Yes Yes 6 5 1 1
R:R:P252 R:R:R255 5.76 1 Yes Yes 1 5 2 1
StatisticsValue
Average Number Of Links9.00
Average Number Of Links With An Hub8.00
Average Interaction Strength10.46
Average Nodes In Shell23.00
Average Hubs In Shell16.00
Average Links In Shell41.00
Average Links Mediated by Hubs In Shell39.00
Physico-chemical properties of the nodes interacting with this ligand (click to enlarge 🔍)
Location of the nodes interacting with this ligand (click to enlarge 🔍)
Show PDB Class SubFamily Type SubType Species Orthosteric Ligand Other Ligand(s) Protein Partners Resolution Date DOI
9K1D A Lipid Free Fatty Acid FFA2 Homo Sapiens Butanoic acid Cholesterol Gi1/Beta1/Gamma2 3.34 2024-12-11  10.1016/j.celrep.2024.115024

A 2D representation of the interactions of BUA in 9K1D
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:Y90 30.9 1 Yes Yes 0 5 0 1
L:L:?1 R:R:C141 3.64 1 Yes No 0 7 0 1
L:L:?1 R:R:I143 6.54 1 Yes No 0 7 0 1
L:L:?1 R:R:V144 3.41 1 Yes Yes 0 5 0 1
L:L:?1 R:R:Y165 13.44 1 Yes Yes 0 4 0 1
L:L:?1 R:R:R180 4.18 1 Yes No 0 5 0 1
L:L:?1 R:R:L183 4.76 1 Yes Yes 0 5 0 1
L:L:?1 R:R:Y238 6.72 1 Yes Yes 0 7 0 1
L:L:?1 R:R:H242 4.42 1 Yes Yes 0 6 0 1
L:L:?1 R:R:R255 11.14 1 Yes Yes 0 5 0 1
R:R:S86 R:R:Y90 5.09 1 No Yes 6 5 2 1
R:R:S86 R:R:V144 3.23 1 No Yes 6 5 2 1
R:R:S86 R:R:Y165 6.36 1 No Yes 6 4 2 1
R:R:C141 R:R:F87 2.79 0 No Yes 7 6 1 2
R:R:F87 R:R:V144 5.24 0 Yes Yes 6 5 2 1
R:R:Y165 R:R:Y90 7.94 1 Yes Yes 4 5 1 1
R:R:Y238 R:R:Y90 9.93 1 Yes Yes 7 5 1 1
R:R:R255 R:R:Y90 8.23 1 Yes Yes 5 5 1 1
R:R:V259 R:R:Y90 2.52 0 No Yes 5 5 2 1
R:R:L183 R:R:Y94 11.72 1 Yes Yes 5 8 1 2
R:R:L187 R:R:Y94 8.21 1 Yes Yes 6 8 2 2
R:R:Y238 R:R:Y94 3.97 1 Yes Yes 7 8 1 2
R:R:H140 R:R:L183 7.71 1 Yes Yes 4 5 2 1
R:R:H140 R:R:L187 5.14 1 Yes Yes 4 6 2 2
R:R:I143 R:R:V179 7.68 0 No No 7 4 1 2
R:R:V144 R:R:Y165 6.31 1 Yes Yes 5 4 1 1
R:R:Q148 R:R:Y165 7.89 0 Yes Yes 5 4 2 1
R:R:F168 R:R:Y165 5.16 1 Yes Yes 4 4 2 1
R:R:R255 R:R:Y165 7.2 1 Yes Yes 5 4 1 1
R:R:H242 R:R:R180 16.93 1 Yes No 6 5 1 1
R:R:R180 R:R:R255 5.33 1 No Yes 5 5 1 1
R:R:L183 R:R:L187 2.77 1 Yes Yes 5 6 1 2
R:R:C184 R:R:H242 2.95 0 Yes Yes 6 6 2 1
R:R:H242 R:R:Y238 6.53 1 Yes Yes 6 7 1 1
R:R:A258 R:R:Y238 2.67 0 No Yes 7 7 2 1
R:R:S262 R:R:Y238 3.82 0 No Yes 8 7 2 1
R:R:H242 R:R:S241 2.79 1 Yes No 6 5 1 2
R:R:E166 R:R:Y165 2.24 1 Yes Yes 5 4 2 1
StatisticsValue
Average Number Of Links10.00
Average Number Of Links With An Hub7.00
Average Interaction Strength8.91
Average Nodes In Shell25.00
Average Hubs In Shell16.00
Average Links In Shell38.00
Average Links Mediated by Hubs In Shell37.00
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 Links8.83
Average Number Of Links With An Hub6.50
Average Interaction Strength10.53
Average Nodes In Shell22.67
Average Hubs In Shell12.67
Average Links In Shell35.00
Average Links Mediated by Hubs In Shell33.67

missing image


Physico-chemical properties of the nodes interacting with this ligand

(Click to enlarge 🔍)

missing image


Location of the nodes interacting with this ligand

(Click to enlarge 🔍)