CodeBAL
Namebeta-Alanine
Synonyms3-aminopropanoic acid
Identifier3-azanylpropanoic acid
FormulaC3 H7 N O2
Molecular Weight89.093
SMILESC(CN)C(=O)O
PubChem239
Formal Charge0
Total Atoms13
Total Chiral Atoms0
Total Bonds12
Total Aromatic Bonds0
Networks3
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This ligand is also present in the following 3 networks:
Show PDB Class SubFamily Type SubType Species Orthosteric Ligand Other Ligand(s) Protein Partners Resolution Date DOI
7W40 A Peptide Bombesin BB2 Homo Sapiens Bombesin - chim(NtGi1L-Gq)/Beta1/Gamma2 3 2023-02-22 10.1073/pnas.2216230120

A 2D representation of the interactions of BAL in 7W40
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:D97 R:R:R100 7.15 1 Yes Yes 6 5 2 1
R:R:R100 R:R:R287 5.33 0 Yes Yes 5 4 1 2
L:L:Q2 R:R:R100 4.67 0 Yes Yes 0 5 2 1
L:L:?6 R:R:R100 5.66 1 Yes Yes 0 5 0 1
L:L:?9 R:R:R100 3.58 1 Yes Yes 0 5 2 1
R:R:P117 R:R:S179 5.34 1 No No 5 5 2 2
L:L:H7 R:R:P117 19.83 1 Yes No 0 5 1 2
R:R:E175 R:R:S179 5.75 0 No No 5 5 2 2
R:R:E175 R:R:P198 7.86 0 No Yes 5 4 2 1
L:L:H7 R:R:S179 4.18 1 Yes No 0 5 1 2
R:R:F184 R:R:V294 3.93 1 Yes No 2 5 2 2
L:L:V5 R:R:F184 11.8 1 No Yes 0 2 1 2
L:L:H7 R:R:C196 4.42 1 Yes No 0 9 1 2
R:R:P198 R:R:Y199 16.69 1 Yes Yes 4 5 1 2
L:L:?6 R:R:P198 11.47 1 Yes Yes 0 4 0 1
L:L:H7 R:R:P198 12.2 1 Yes Yes 0 4 1 1
L:L:V5 R:R:V294 4.81 1 No No 0 5 1 2
L:L:?6 L:L:V5 5.2 1 Yes No 0 0 0 1
L:L:?6 L:L:H7 5.99 1 Yes Yes 0 0 0 1
L:L:?9 L:L:H7 3.79 1 Yes Yes 0 0 2 1
StatisticsValue
Average Number Of Links4.00
Average Number Of Links With An Hub3.00
Average Interaction Strength7.08
Average Nodes In Shell16.00
Average Hubs In Shell10.00
Average Links In Shell20.00
Average Links Mediated by Hubs In Shell17.00
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
7Y12 A Orphan A orphans MRGPRD Homo sapiens Beta-alanine - Gi1/Beta1/Gamma2 3.1 2022-07-20 10.1038/s42003-022-03668-3

A 2D representation of the interactions of BAL in 7Y12
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:E99 R:R:R103 15.12 7 No Yes 5 4 2 1
R:R:E99 R:R:S165 8.62 7 No Yes 5 3 2 2
R:R:K102 R:R:R103 6.19 0 No Yes 3 4 2 1
R:R:R103 R:R:S161 10.54 7 Yes No 4 3 1 2
R:R:R103 R:R:S165 7.91 7 Yes Yes 4 3 1 2
L:L:?1 R:R:R103 11.31 7 Yes Yes 0 4 0 1
R:R:W241 R:R:Y106 39.55 7 No No 4 3 1 2
R:R:S161 R:R:S165 4.89 7 No Yes 3 3 2 2
R:R:C164 R:R:C175 7.28 7 No No 6 8 1 1
L:L:?1 R:R:C164 14.78 7 Yes No 0 6 0 1
R:R:C175 R:R:W246 5.22 7 No Yes 8 4 1 1
L:L:?1 R:R:C175 7.39 7 Yes No 0 8 0 1
R:R:F176 R:R:W246 19.04 0 No Yes 2 4 2 1
R:R:D179 R:R:F242 7.17 7 No Yes 3 5 1 2
R:R:D179 R:R:W246 6.7 7 No Yes 3 4 1 1
L:L:?1 R:R:D179 11.06 7 Yes No 0 3 0 1
R:R:W241 R:R:Y245 3.86 7 No No 4 4 1 1
L:L:?1 R:R:W241 27.84 7 Yes No 0 4 0 1
R:R:W246 R:R:Y245 12.54 7 Yes No 4 4 1 1
L:L:?1 R:R:Y245 15.01 7 Yes No 0 4 0 1
L:L:?1 R:R:W246 5.3 7 Yes Yes 0 4 0 1
StatisticsValue
Average Number Of Links7.00
Average Number Of Links With An Hub2.00
Average Interaction Strength13.24
Average Nodes In Shell15.00
Average Hubs In Shell5.00
Average Links In Shell21.00
Average Links Mediated by Hubs In Shell18.00
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
7Y14 A Orphan A orphans MRGPRD Homo sapiens Beta-alanine - - 3.2 2022-07-20 10.1038/s42003-022-03668-3

A 2D representation of the interactions of BAL in 7Y14
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:E99 R:R:R103 11.63 2 Yes Yes 5 4 2 1
R:R:E99 R:R:S165 8.62 2 Yes Yes 5 3 2 2
R:R:K102 R:R:R103 4.95 0 No Yes 3 4 2 1
R:R:K102 R:R:Y106 3.58 0 No Yes 3 3 2 2
R:R:R103 R:R:S161 9.22 2 Yes No 4 3 1 2
R:R:R103 R:R:S165 6.59 2 Yes Yes 4 3 1 2
L:L:?1 R:R:R103 5.66 2 Yes Yes 0 4 0 1
R:R:W241 R:R:Y106 40.51 0 Yes Yes 4 3 1 2
R:R:S161 R:R:S165 4.89 2 No Yes 3 3 2 2
R:R:C164 R:R:C175 7.28 2 No No 6 8 1 1
L:L:?1 R:R:C164 9.24 2 Yes No 0 6 0 1
R:R:C175 R:R:W246 5.22 2 No Yes 8 4 1 2
L:L:?1 R:R:C175 3.69 2 Yes No 0 8 0 1
R:R:D179 R:R:W246 14.52 0 No Yes 3 4 1 2
L:L:?1 R:R:D179 11.06 2 Yes No 0 3 0 1
R:R:W241 R:R:Y240 3.86 0 Yes Yes 4 3 1 2
R:R:F242 R:R:W241 8.02 0 Yes Yes 5 4 2 1
L:L:?1 R:R:W241 21.21 2 Yes Yes 0 4 0 1
R:R:W246 R:R:Y245 13.5 0 Yes No 4 4 2 1
L:L:?1 R:R:Y245 17.74 2 Yes No 0 4 0 1
StatisticsValue
Average Number Of Links6.00
Average Number Of Links With An Hub2.00
Average Interaction Strength11.43
Average Nodes In Shell15.00
Average Hubs In Shell9.00
Average Links In Shell20.00
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 Links5.67
Average Number Of Links With An Hub2.33
Average Interaction Strength10.58
Average Nodes In Shell15.33
Average Hubs In Shell8.00
Average Links In Shell20.33
Average Links Mediated by Hubs In Shell18.00

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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 🔍)