CodeNIO
NameNiacin
Synonyms3-carboxypyridine
Identifier
FormulaC6 H5 N O2
Molecular Weight123.109
SMILES
PubChem938
Formal Charge0
Total Atoms14
Total Chiral Atoms0
Total Bonds14
Total Aromatic Bonds6
Networks17
 missing image

This ligand is also present in the following 17 networks:
Show PDB Class SubFamily Type SubType Species Orthosteric Ligand Other Ligand(s) Protein Partners Resolution Date DOI
8H2G A Alicarboxylic acid Hydroxycarboxylic Acid HCA2 Homo Sapiens Niacin - Gi1/Beta1/Gamma2 3.01 2023-10-11 To be published

A 2D representation of the interactions of NIO in 8H2G
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:L30 R:R:Y87 3.52 0 Yes Yes 5 6 2 1
R:R:L30 R:R:S281 4.5 0 Yes No 5 6 2 2
R:R:C79 R:R:M103 3.24 3 No Yes 6 5 2 2
R:R:C79 R:R:L107 4.76 3 No Yes 6 6 2 1
R:R:L83 R:R:Y87 10.55 3 Yes Yes 6 6 1 1
R:R:L83 R:R:M103 5.65 3 Yes Yes 6 5 1 2
R:R:L107 R:R:L83 5.54 3 Yes Yes 6 6 1 1
R:R:L83 R:R:Y284 3.52 3 Yes Yes 6 7 1 1
L:L:?1 R:R:L83 6.42 3 Yes Yes 0 6 0 1
R:R:W91 R:R:Y87 8.68 0 Yes Yes 4 6 2 1
L:L:?1 R:R:Y87 4.35 3 Yes Yes 0 6 0 1
R:R:L107 R:R:M103 4.24 3 Yes Yes 6 5 1 2
R:R:L104 R:R:S179 6.01 0 No No 5 4 2 1
R:R:L107 R:R:Y284 5.86 3 Yes Yes 6 7 1 1
L:L:?1 R:R:L107 10.27 3 Yes Yes 0 6 0 1
R:R:F180 R:R:R111 3.21 3 Yes Yes 3 8 1 1
R:R:E196 R:R:R111 4.65 0 Yes Yes 5 8 2 1
R:R:R111 R:R:T283 6.47 3 Yes No 8 8 1 2
R:R:R111 R:R:Y284 4.12 3 Yes Yes 8 7 1 1
L:L:?1 R:R:R111 13.52 3 Yes Yes 0 8 0 1
R:R:H189 R:R:S179 8.37 3 Yes No 5 4 2 1
L:L:?1 R:R:S179 8.35 3 Yes No 0 4 0 1
R:R:F180 R:R:H189 9.05 3 Yes Yes 3 5 1 2
R:R:F180 R:R:F193 16.08 3 Yes No 3 6 1 2
R:R:F180 R:R:R251 5.34 3 Yes No 3 5 1 2
R:R:F180 R:R:F276 3.22 3 Yes Yes 3 4 1 2
R:R:F180 R:R:L280 7.31 3 Yes No 3 5 1 1
L:L:?1 R:R:F180 6.77 3 Yes Yes 0 3 0 1
R:R:E196 R:R:F193 4.66 0 Yes No 5 6 2 2
R:R:F193 R:R:S247 5.28 0 No Yes 6 6 2 2
R:R:F276 R:R:S247 6.61 3 Yes Yes 4 6 2 2
R:R:L280 R:R:S247 3 3 No Yes 5 6 1 2
R:R:F276 R:R:R251 12.83 3 Yes No 4 5 2 2
L:L:?1 R:R:L280 11.55 3 Yes No 0 5 0 1
R:R:S281 R:R:Y284 3.82 0 No Yes 6 7 2 1
L:L:?1 R:R:Y284 9.78 3 Yes Yes 0 7 0 1
StatisticsValue
Average Number Of Links8.00
Average Number Of Links With An Hub6.00
Average Interaction Strength8.88
Average Nodes In Shell22.00
Average Hubs In Shell14.00
Average Links In Shell36.00
Average Links Mediated by Hubs In Shell35.00
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
8IJA A Alicarboxylic acid Hydroxycarboxylic Acid HCA2 Homo Sapiens Niacin - Gi1/Beta1/Gamma2 2.69 2024-01-03 10.1038/s41421-023-00610-7

A 2D representation of the interactions of NIO in 8IJA
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:L83 5.13 2 Yes Yes 0 6 0 1
L:L:?1 R:R:W91 4.22 2 Yes Yes 0 4 0 1
L:L:?1 R:R:L107 8.98 2 Yes No 0 6 0 1
L:L:?1 R:R:R111 10.14 2 Yes Yes 0 8 0 1
L:L:?1 R:R:S179 6.96 2 Yes No 0 4 0 1
L:L:?1 R:R:F180 10.16 2 Yes Yes 0 3 0 1
L:L:?1 R:R:F277 3.39 2 Yes Yes 0 5 0 1
L:L:?1 R:R:L280 11.55 2 Yes Yes 0 5 0 1
L:L:?1 R:R:Y284 7.61 2 Yes Yes 0 7 0 1
R:R:I26 R:R:W91 3.52 0 No Yes 5 4 2 1
R:R:L34 R:R:L80 4.15 2 Yes No 8 8 2 2
R:R:L34 R:R:L83 4.15 2 Yes Yes 8 6 2 1
R:R:L34 R:R:Y87 5.86 2 Yes Yes 8 6 2 2
R:R:E37 R:R:Y284 5.61 0 No Yes 7 7 2 1
R:R:L76 R:R:Y284 5.86 0 No Yes 7 7 2 1
R:R:C79 R:R:L107 3.17 0 No No 6 6 2 1
R:R:L80 R:R:Y284 3.52 0 No Yes 8 7 2 1
R:R:L83 R:R:Y87 15.24 2 Yes Yes 6 6 1 2
R:R:L83 R:R:M103 5.65 2 Yes Yes 6 5 1 2
R:R:L83 R:R:Y284 3.52 2 Yes Yes 6 7 1 1
R:R:N86 R:R:W91 5.65 0 No Yes 5 4 2 1
R:R:W91 R:R:Y87 7.72 2 Yes Yes 4 6 1 2
R:R:F277 R:R:Y87 4.13 2 Yes Yes 5 6 1 2
R:R:L176 R:R:W91 4.56 2 Yes Yes 4 4 2 1
R:R:S178 R:R:W91 9.88 2 No Yes 4 4 2 1
R:R:F277 R:R:W91 12.03 2 Yes Yes 5 4 1 1
R:R:L107 R:R:M103 5.65 0 No Yes 6 5 1 2
R:R:L104 R:R:S179 6.01 0 No No 5 4 2 1
R:R:F180 R:R:R111 5.34 2 Yes Yes 3 8 1 1
R:R:F193 R:R:R111 4.28 2 Yes Yes 6 8 2 1
R:R:E196 R:R:R111 5.82 2 Yes Yes 5 8 2 1
R:R:F244 R:R:R111 3.21 2 Yes Yes 8 8 2 1
R:R:L280 R:R:R111 3.64 2 Yes Yes 5 8 1 1
R:R:R111 R:R:T283 9.06 2 Yes Yes 8 8 1 2
R:R:L176 R:R:S178 7.51 2 Yes No 4 4 2 2
R:R:H189 R:R:S179 8.37 2 Yes No 5 4 2 1
R:R:F180 R:R:H189 16.97 2 Yes Yes 3 5 1 2
R:R:F180 R:R:F193 11.79 2 Yes Yes 3 6 1 2
R:R:F180 R:R:R251 7.48 2 Yes Yes 3 5 1 2
R:R:F180 R:R:F276 6.43 2 Yes Yes 3 4 1 2
R:R:F180 R:R:L280 3.65 2 Yes Yes 3 5 1 1
R:R:E196 R:R:F193 3.5 2 Yes Yes 5 6 2 2
R:R:F193 R:R:R251 6.41 2 Yes Yes 6 5 2 2
R:R:F244 R:R:T283 5.19 2 Yes Yes 8 8 2 2
R:R:F276 R:R:R251 13.9 2 Yes Yes 4 5 2 2
R:R:D273 R:R:F276 3.58 2 Yes Yes 4 4 2 2
R:R:D273 R:R:F277 8.36 2 Yes Yes 4 5 2 1
R:R:F276 R:R:F277 11.79 2 Yes Yes 4 5 2 1
R:R:L280 R:R:T283 4.42 2 Yes Yes 5 8 1 2
R:R:L280 R:R:Y284 3.52 2 Yes Yes 5 7 1 1
R:R:T283 R:R:Y284 6.24 2 Yes Yes 8 7 2 1
StatisticsValue
Average Number Of Links9.00
Average Number Of Links With An Hub7.00
Average Interaction Strength7.57
Average Nodes In Shell30.00
Average Hubs In Shell20.00
Average Links In Shell51.00
Average Links Mediated by Hubs In Shell49.00
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
8IY9 A Alicarboxylic acid Hydroxycarboxylic Acid HCA2 Homo Sapiens Niacin - Go/Beta1/Gamma2 3.37 2024-03-06 10.1038/s41467-024-46239-2

A 2D representation of the interactions of NIO in 8IY9
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:L83 2.57 1 Yes Yes 0 6 0 1
L:L:?1 R:R:L104 2.57 1 Yes Yes 0 5 0 1
L:L:?1 R:R:L107 11.55 1 Yes Yes 0 6 0 1
L:L:?1 R:R:R111 10.14 1 Yes Yes 0 8 0 1
L:L:?1 R:R:S178 5.57 1 Yes No 0 4 0 1
L:L:?1 R:R:S179 4.18 1 Yes Yes 0 4 0 1
L:L:?1 R:R:F180 11.29 1 Yes Yes 0 3 0 1
L:L:?1 R:R:F277 5.65 1 Yes Yes 0 5 0 1
L:L:?1 R:R:L280 7.7 1 Yes Yes 0 5 0 1
L:L:?1 R:R:Y284 6.52 1 Yes Yes 0 7 0 1
R:R:E37 R:R:L34 15.9 1 Yes Yes 7 8 2 2
R:R:L34 R:R:L80 4.15 1 Yes Yes 8 8 2 2
R:R:L34 R:R:Y284 3.52 1 Yes Yes 8 7 2 1
R:R:E37 R:R:L80 14.58 1 Yes Yes 7 8 2 2
R:R:E37 R:R:Y284 16.83 1 Yes Yes 7 7 2 1
R:R:L107 R:R:L76 2.77 1 Yes Yes 6 7 1 2
R:R:L76 R:R:Y284 3.52 1 Yes Yes 7 7 2 1
R:R:C79 R:R:L107 11.11 0 No Yes 6 6 2 1
R:R:L80 R:R:Y284 3.52 1 Yes Yes 8 7 2 1
R:R:L83 R:R:N86 2.75 1 Yes No 6 5 1 2
R:R:L83 R:R:M103 8.48 1 Yes No 6 5 1 2
R:R:L107 R:R:L83 2.77 1 Yes Yes 6 6 1 1
R:R:N86 R:R:W91 5.65 0 No Yes 5 4 2 2
R:R:W91 R:R:Y87 9.65 1 Yes Yes 4 6 2 2
R:R:F277 R:R:Y87 5.16 1 Yes Yes 5 6 1 2
R:R:F277 R:R:W91 6.01 1 Yes Yes 5 4 1 2
R:R:L104 R:R:M103 2.83 1 Yes No 5 5 1 2
R:R:L104 R:R:L162 5.54 1 Yes No 5 4 1 2
R:R:L104 R:R:M167 4.24 1 Yes No 5 3 1 2
R:R:L104 R:R:S179 3 1 Yes Yes 5 4 1 1
R:R:L107 R:R:Y284 3.52 1 Yes Yes 6 7 1 1
R:R:F193 R:R:R111 3.21 0 No Yes 6 8 2 1
R:R:E196 R:R:R111 3.49 0 No Yes 5 8 2 1
R:R:R111 R:R:T283 9.06 0 Yes Yes 8 8 1 2
R:R:L162 R:R:M167 2.83 1 No No 4 3 2 2
R:R:F180 R:R:S179 9.25 1 Yes Yes 3 4 1 1
R:R:H189 R:R:S179 6.97 1 No Yes 5 4 2 1
R:R:F180 R:R:H189 9.05 1 Yes No 3 5 1 2
R:R:F180 R:R:F193 5.36 1 Yes No 3 6 1 2
R:R:F180 R:R:F276 13.93 1 Yes Yes 3 4 1 2
R:R:F180 R:R:L280 3.65 1 Yes Yes 3 5 1 1
R:R:D273 R:R:F277 7.17 0 No Yes 4 5 2 1
R:R:F276 R:R:F277 5.36 1 Yes Yes 4 5 2 1
R:R:F276 R:R:L280 6.09 1 Yes Yes 4 5 2 1
R:R:L280 R:R:T283 5.9 1 Yes Yes 5 8 1 2
R:R:L280 R:R:Y284 3.52 1 Yes Yes 5 7 1 1
R:R:S281 R:R:Y284 2.54 0 No Yes 6 7 2 1
R:R:T283 R:R:Y284 4.99 1 Yes Yes 8 7 2 1
StatisticsValue
Average Number Of Links10.00
Average Number Of Links With An Hub9.00
Average Interaction Strength6.77
Average Nodes In Shell29.00
Average Hubs In Shell18.00
Average Links In Shell48.00
Average Links Mediated by Hubs In Shell47.00
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
8J6L A Alicarboxylic acid Hydroxycarboxylic Acid HCA2 Homo Sapiens Niacin - Gi1/Beta1/Gamma2 3.05 2024-04-03 10.1016/j.celrep.2023.113406

A 2D representation of the interactions of NIO in 8J6L
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:L83 10.27 1 Yes No 0 6 0 1
L:L:?1 R:R:Y87 4.35 1 Yes Yes 0 6 0 1
L:L:?1 R:R:L107 6.42 1 Yes No 0 6 0 1
L:L:?1 R:R:R111 6.76 1 Yes Yes 0 8 0 1
L:L:?1 R:R:S178 2.78 1 Yes No 0 4 0 1
L:L:?1 R:R:F180 15.81 1 Yes Yes 0 3 0 1
L:L:?1 R:R:F277 6.78 1 Yes Yes 0 5 0 1
L:L:?1 R:R:L280 6.42 1 Yes No 0 5 0 1
L:L:?1 R:R:Y284 6.52 1 Yes Yes 0 7 0 1
R:R:I26 R:R:L30 4.28 1 No No 5 5 2 2
R:R:I26 R:R:Y87 4.84 1 No Yes 5 6 2 1
R:R:L30 R:R:Y87 10.55 1 No Yes 5 6 2 1
R:R:E37 R:R:L80 2.65 1 Yes Yes 7 8 2 2
R:R:E37 R:R:Y284 5.61 1 Yes Yes 7 7 2 1
R:R:C79 R:R:L107 6.35 0 No No 6 6 2 1
R:R:L80 R:R:Y284 12.89 1 Yes Yes 8 7 2 1
R:R:L83 R:R:N86 4.12 1 No No 6 5 1 2
R:R:L83 R:R:Y87 10.55 1 No Yes 6 6 1 1
R:R:N86 R:R:Y87 5.81 1 No Yes 5 6 2 1
R:R:N86 R:R:W91 10.17 1 No Yes 5 4 2 2
R:R:W91 R:R:Y87 5.79 1 Yes Yes 4 6 2 1
R:R:F277 R:R:Y87 3.09 1 Yes Yes 5 6 1 1
R:R:S178 R:R:W91 4.94 0 No Yes 4 4 1 2
R:R:F277 R:R:W91 10.02 1 Yes Yes 5 4 1 2
R:R:L107 R:R:Y284 3.52 1 No Yes 6 7 1 1
R:R:I115 R:R:R111 2.51 1 Yes Yes 8 8 2 1
R:R:F180 R:R:R111 3.21 1 Yes Yes 3 8 1 1
R:R:F193 R:R:R111 4.28 1 Yes Yes 6 8 2 1
R:R:E196 R:R:R111 8.14 1 Yes Yes 5 8 2 1
R:R:R111 R:R:T283 5.17 1 Yes No 8 8 1 2
R:R:E196 R:R:I115 6.83 1 Yes Yes 5 8 2 2
R:R:F180 R:R:F193 12.86 1 Yes Yes 3 6 1 2
R:R:F180 R:R:R251 11.76 1 Yes Yes 3 5 1 2
R:R:F180 R:R:F276 12.86 1 Yes Yes 3 4 1 2
R:R:E196 R:R:F193 8.16 1 Yes Yes 5 6 2 2
R:R:F193 R:R:R251 5.34 1 Yes Yes 6 5 2 2
R:R:F276 R:R:R251 14.97 1 Yes Yes 4 5 2 2
R:R:D273 R:R:F277 8.36 0 No Yes 4 5 2 1
R:R:F276 R:R:F277 7.5 1 Yes Yes 4 5 2 1
R:R:L280 R:R:T283 2.95 1 No No 5 8 1 2
R:R:L280 R:R:Y284 5.86 1 No Yes 5 7 1 1
StatisticsValue
Average Number Of Links9.00
Average Number Of Links With An Hub5.00
Average Interaction Strength7.35
Average Nodes In Shell24.00
Average Hubs In Shell14.00
Average Links In Shell41.00
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 🔍)
Show PDB Class SubFamily Type SubType Species Orthosteric Ligand Other Ligand(s) Protein Partners Resolution Date DOI
8J6P A Alicarboxylic acid Hydroxycarboxylic Acid HCA2 Homo Sapiens Niacin Compound 9n Gi1/Beta1/Gamma2 2.55 2023-12-06 10.1038/s41467-023-43537-z

A 2D representation of the interactions of NIO in 8J6P
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:R22 R:R:W91 6 0 No Yes 3 4 2 1
R:R:I26 R:R:L30 9.99 2 Yes No 5 5 2 2
R:R:I26 R:R:Y87 3.63 2 Yes Yes 5 6 2 1
R:R:I26 R:R:W91 7.05 2 Yes Yes 5 4 2 1
R:R:F277 R:R:I26 3.77 2 Yes Yes 5 5 2 2
R:R:L30 R:R:Y87 17.58 2 No Yes 5 6 2 1
R:R:P31 R:R:Y87 2.78 0 No Yes 6 6 2 1
R:R:L34 R:R:L80 2.77 0 Yes No 8 8 2 2
R:R:L34 R:R:L83 4.15 0 Yes Yes 8 6 2 1
R:R:E37 R:R:Y284 4.49 0 Yes Yes 7 7 2 1
R:R:L107 R:R:L76 2.77 2 Yes Yes 6 7 1 2
R:R:L76 R:R:Y284 7.03 2 Yes Yes 7 7 2 1
R:R:C79 R:R:L107 3.17 0 No Yes 6 6 2 1
R:R:L80 R:R:Y284 7.03 0 No Yes 8 7 2 1
R:R:L83 R:R:Y87 4.69 2 Yes Yes 6 6 1 1
R:R:L83 R:R:M103 5.65 2 Yes Yes 6 5 1 2
R:R:L107 R:R:L83 8.3 2 Yes Yes 6 6 1 1
R:R:L83 R:R:Y284 4.69 2 Yes Yes 6 7 1 1
L:L:?1 R:R:L83 6.42 2 Yes Yes 0 6 0 1
R:R:N86 R:R:W91 7.91 0 No Yes 5 4 2 1
R:R:W91 R:R:Y87 12.54 2 Yes Yes 4 6 1 1
L:L:?1 R:R:Y87 4.35 2 Yes Yes 0 6 0 1
R:R:L176 R:R:W91 4.56 2 Yes Yes 4 4 2 1
R:R:S178 R:R:W91 3.71 2 No Yes 4 4 1 1
R:R:F277 R:R:W91 13.03 2 Yes Yes 5 4 2 1
L:L:?1 R:R:W91 4.22 2 Yes Yes 0 4 0 1
R:R:C100 R:R:L104 3.17 2 Yes Yes 9 5 2 1
R:R:C100 R:R:M167 6.48 2 Yes Yes 9 3 2 2
R:R:C100 R:R:C177 7.28 2 Yes Yes 9 9 2 2
R:R:L107 R:R:M103 2.83 2 Yes Yes 6 5 1 2
R:R:C177 R:R:M103 3.24 2 Yes Yes 9 5 2 2
R:R:L104 R:R:M167 2.83 2 Yes Yes 5 3 1 2
R:R:C177 R:R:L104 4.76 2 Yes Yes 9 5 2 1
R:R:L104 R:R:S179 10.51 2 Yes Yes 5 4 1 1
L:L:?1 R:R:L104 3.85 2 Yes Yes 0 5 0 1
R:R:L107 R:R:Y284 7.03 2 Yes Yes 6 7 1 1
L:L:?1 R:R:L107 15.4 2 Yes Yes 0 6 0 1
R:R:F180 R:R:R111 3.21 2 Yes Yes 3 8 1 1
R:R:E196 R:R:R111 4.65 0 No Yes 5 8 2 1
R:R:R111 R:R:T283 5.17 2 Yes Yes 8 8 1 2
R:R:R111 R:R:Y284 5.14 2 Yes Yes 8 7 1 1
L:L:?1 R:R:R111 10.14 2 Yes Yes 0 8 0 1
R:R:L162 R:R:S179 3 2 No Yes 4 4 2 1
R:R:H189 R:R:L162 10.29 2 Yes No 5 4 2 2
R:R:L176 R:R:S178 7.51 2 Yes No 4 4 2 1
L:L:?1 R:R:S178 2.78 2 Yes No 0 4 0 1
R:R:F180 R:R:S179 3.96 2 Yes Yes 3 4 1 1
R:R:H189 R:R:S179 8.37 2 Yes Yes 5 4 2 1
L:L:?1 R:R:S179 9.74 2 Yes Yes 0 4 0 1
R:R:F180 R:R:H189 13.58 2 Yes Yes 3 5 1 2
R:R:E190 R:R:F180 4.66 2 Yes Yes 4 3 2 1
R:R:F180 R:R:F193 11.79 2 Yes Yes 3 6 1 2
R:R:F180 R:R:R251 3.21 2 Yes Yes 3 5 1 2
R:R:F180 R:R:F276 10.72 2 Yes Yes 3 4 1 2
R:R:F180 R:R:L280 3.65 2 Yes Yes 3 5 1 1
L:L:?1 R:R:F180 13.55 2 Yes Yes 0 3 0 1
R:R:E190 R:R:R251 11.63 2 Yes Yes 4 5 2 2
R:R:F193 R:R:R251 3.21 2 Yes Yes 6 5 2 2
R:R:F193 R:R:F276 5.36 2 Yes Yes 6 4 2 2
R:R:F276 R:R:R251 16.03 2 Yes Yes 4 5 2 2
R:R:F276 R:R:F277 6.43 2 Yes Yes 4 5 2 2
R:R:F276 R:R:L280 3.65 2 Yes Yes 4 5 2 1
R:R:L280 R:R:T283 4.42 2 Yes Yes 5 8 1 2
R:R:L280 R:R:Y284 3.52 2 Yes Yes 5 7 1 1
L:L:?1 R:R:L280 6.42 2 Yes Yes 0 5 0 1
R:R:T283 R:R:Y284 7.49 2 Yes Yes 8 7 2 1
L:L:?1 R:R:Y284 9.78 2 Yes Yes 0 7 0 1
StatisticsValue
Average Number Of Links11.00
Average Number Of Links With An Hub10.00
Average Interaction Strength7.88
Average Nodes In Shell36.00
Average Hubs In Shell27.00
Average Links In Shell67.00
Average Links Mediated by Hubs In Shell67.00
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
8JII A Alicarboxylic acid Hydroxycarboxylic Acid HCA2 Homo Sapiens Niacin Compound 9n Gi1/Beta1/Gamma2 3.17 2023-09-06 10.1016/j.molcel.2023.07.030

A 2D representation of the interactions of NIO in 8JII
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:L83 6.42 2 Yes No 0 6 0 1
L:L:?1 R:R:Y87 4.35 2 Yes Yes 0 6 0 1
L:L:?1 R:R:L104 2.57 2 Yes No 0 5 0 1
L:L:?1 R:R:L107 6.42 2 Yes No 0 6 0 1
L:L:?1 R:R:R111 9.01 2 Yes Yes 0 8 0 1
L:L:?1 R:R:S178 8.35 2 Yes No 0 4 0 1
L:L:?1 R:R:S179 2.78 2 Yes No 0 4 0 1
L:L:?1 R:R:F180 9.03 2 Yes Yes 0 3 0 1
L:L:?1 R:R:F277 2.26 2 Yes Yes 0 5 0 1
L:L:?1 R:R:L280 2.57 2 Yes Yes 0 5 0 1
L:L:?1 R:R:Y284 6.52 2 Yes Yes 0 7 0 1
R:R:I26 R:R:L30 7.14 2 No Yes 5 5 2 2
R:R:I26 R:R:Y87 6.04 2 No Yes 5 6 2 1
R:R:L30 R:R:Y87 7.03 2 Yes Yes 5 6 2 1
R:R:E37 R:R:Y284 4.49 2 Yes Yes 7 7 2 1
R:R:L107 R:R:L76 2.77 0 No No 6 7 1 2
R:R:L80 R:R:Y284 3.52 0 No Yes 8 7 2 1
R:R:L83 R:R:Y87 9.38 2 No Yes 6 6 1 1
R:R:L83 R:R:M103 5.65 2 No No 6 5 1 2
R:R:W91 R:R:Y87 7.72 2 Yes Yes 4 6 2 1
R:R:F277 R:R:Y87 2.06 2 Yes Yes 5 6 1 1
R:R:S178 R:R:W91 4.94 0 No Yes 4 4 1 2
R:R:F277 R:R:W91 7.02 2 Yes Yes 5 4 1 2
R:R:L104 R:R:M167 4.24 0 No No 5 3 1 2
R:R:C177 R:R:L104 4.76 0 No No 9 5 2 1
R:R:F180 R:R:R111 2.14 2 Yes Yes 3 8 1 1
R:R:E196 R:R:R111 3.49 0 Yes Yes 5 8 2 1
R:R:R111 R:R:T283 3.88 2 Yes No 8 8 1 2
R:R:R111 R:R:Y284 3.09 2 Yes Yes 8 7 1 1
R:R:H189 R:R:S179 8.37 0 Yes No 5 4 2 1
R:R:F180 R:R:H189 6.79 2 Yes Yes 3 5 1 2
R:R:E190 R:R:F180 7 2 Yes Yes 4 3 2 1
R:R:F180 R:R:F193 3.22 2 Yes Yes 3 6 1 2
R:R:F180 R:R:F276 6.43 2 Yes Yes 3 4 1 2
R:R:F180 R:R:L280 3.65 2 Yes Yes 3 5 1 1
R:R:E196 R:R:F193 2.33 0 Yes Yes 5 6 2 2
R:R:F193 R:R:F276 2.14 2 Yes Yes 6 4 2 2
R:R:F193 R:R:L280 2.44 2 Yes Yes 6 5 2 1
R:R:D273 R:R:F277 7.17 0 No Yes 4 5 2 1
R:R:F276 R:R:L280 9.74 2 Yes Yes 4 5 2 1
R:R:L280 R:R:Y284 2.34 2 Yes Yes 5 7 1 1
R:R:T283 R:R:Y284 2.5 2 No Yes 8 7 2 1
StatisticsValue
Average Number Of Links11.00
Average Number Of Links With An Hub6.00
Average Interaction Strength5.48
Average Nodes In Shell28.00
Average Hubs In Shell15.00
Average Links In Shell42.00
Average Links Mediated by Hubs In Shell38.00
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
8JIL A Alicarboxylic acid Hydroxycarboxylic Acid HCA2 Homo Sapiens Niacin - Gi1/Beta1/Gamma2 3.5 2023-09-06 10.1016/j.molcel.2023.07.030

A 2D representation of the interactions of NIO in 8JIL
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:L83 7.7 1 Yes Yes 0 6 0 1
L:L:?1 R:R:Y87 3.26 1 Yes Yes 0 6 0 1
L:L:?1 R:R:L107 10.27 1 Yes No 0 6 0 1
L:L:?1 R:R:R111 7.88 1 Yes Yes 0 8 0 1
L:L:?1 R:R:S178 5.57 1 Yes No 0 4 0 1
L:L:?1 R:R:F180 15.81 1 Yes Yes 0 3 0 1
L:L:?1 R:R:F277 2.26 1 Yes Yes 0 5 0 1
L:L:?1 R:R:Y284 7.61 1 Yes Yes 0 7 0 1
R:R:I26 R:R:L30 7.14 1 No Yes 5 5 2 2
R:R:I26 R:R:Y87 3.63 1 No Yes 5 6 2 1
R:R:L30 R:R:Y87 3.52 1 Yes Yes 5 6 2 1
R:R:L34 R:R:L80 8.3 1 Yes No 8 8 2 2
R:R:L34 R:R:L83 4.15 1 Yes Yes 8 6 2 1
R:R:L34 R:R:Y87 2.34 1 Yes Yes 8 6 2 1
R:R:L34 R:R:Y284 2.34 1 Yes Yes 8 7 2 1
R:R:E37 R:R:Y284 4.49 1 Yes Yes 7 7 2 1
R:R:L107 R:R:L76 5.54 0 No No 6 7 1 2
R:R:L76 R:R:Y284 4.69 0 No Yes 7 7 2 1
R:R:C79 R:R:M103 3.24 0 No Yes 6 5 2 2
R:R:C79 R:R:L107 7.94 0 No No 6 6 2 1
R:R:L80 R:R:Y284 2.34 1 No Yes 8 7 2 1
R:R:L83 R:R:N86 2.75 1 Yes No 6 5 1 2
R:R:L83 R:R:Y87 8.21 1 Yes Yes 6 6 1 1
R:R:L83 R:R:M103 4.24 1 Yes Yes 6 5 1 2
R:R:L83 R:R:Y284 3.52 1 Yes Yes 6 7 1 1
R:R:N86 R:R:W91 5.65 0 No Yes 5 4 2 2
R:R:W91 R:R:Y87 10.61 1 Yes Yes 4 6 2 1
R:R:F277 R:R:Y87 2.06 1 Yes Yes 5 6 1 1
R:R:S178 R:R:W91 2.47 0 No Yes 4 4 1 2
R:R:F180 R:R:R111 2.14 1 Yes Yes 3 8 1 1
R:R:E196 R:R:R111 5.82 0 No Yes 5 8 2 1
R:R:R111 R:R:T283 6.47 1 Yes Yes 8 8 1 2
R:R:R111 R:R:Y284 4.12 1 Yes Yes 8 7 1 1
R:R:F180 R:R:H189 6.79 1 Yes Yes 3 5 1 2
R:R:F180 R:R:F193 2.14 1 Yes Yes 3 6 1 2
R:R:F180 R:R:R251 4.28 1 Yes Yes 3 5 1 2
R:R:F180 R:R:F276 4.29 1 Yes Yes 3 4 1 2
R:R:F180 R:R:F277 2.14 1 Yes Yes 3 5 1 1
R:R:F180 R:R:L280 6.09 1 Yes Yes 3 5 1 2
R:R:E196 R:R:F193 5.83 0 No Yes 5 6 2 2
R:R:F193 R:R:L280 2.44 1 Yes Yes 6 5 2 2
R:R:F276 R:R:R251 12.83 1 Yes Yes 4 5 2 2
R:R:D273 R:R:F276 2.39 1 No Yes 4 4 2 2
R:R:D273 R:R:F277 8.36 1 No Yes 4 5 2 1
R:R:F276 R:R:F277 7.5 1 Yes Yes 4 5 2 1
R:R:F276 R:R:L280 3.65 1 Yes Yes 4 5 2 2
R:R:L280 R:R:T283 2.95 1 Yes Yes 5 8 2 2
StatisticsValue
Average Number Of Links8.00
Average Number Of Links With An Hub6.00
Average Interaction Strength7.54
Average Nodes In Shell27.00
Average Hubs In Shell18.00
Average Links In Shell47.00
Average Links Mediated by Hubs In Shell45.00
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
8K5B A Alicarboxylic acid Hydroxycarboxylic Acid HCA2 Homo Sapiens Niacin - - 3.43 2023-11-22  10.1038/s41467-023-42764-8

A 2D representation of the interactions of NIO in 8K5B
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:L83 6.42 1 Yes Yes 0 6 0 1
L:L:?1 R:R:Y87 4.35 1 Yes Yes 0 6 0 1
L:L:?1 R:R:L107 10.27 1 Yes Yes 0 6 0 1
L:L:?1 R:R:R111 13.52 1 Yes Yes 0 8 0 1
L:L:?1 R:R:S179 8.35 1 Yes No 0 4 0 1
L:L:?1 R:R:F180 6.78 1 Yes Yes 0 3 0 1
L:L:?1 R:R:L280 11.55 1 Yes No 0 5 0 1
L:L:?1 R:R:Y284 9.78 1 Yes Yes 0 7 0 1
R:R:L30 R:R:Y87 3.52 0 Yes Yes 5 6 2 1
R:R:L30 R:R:S281 4.5 0 Yes No 5 6 2 2
R:R:C79 R:R:M103 3.24 1 No Yes 6 5 2 2
R:R:C79 R:R:L107 4.76 1 No Yes 6 6 2 1
R:R:L83 R:R:Y87 10.55 1 Yes Yes 6 6 1 1
R:R:L83 R:R:M103 5.65 1 Yes Yes 6 5 1 2
R:R:L107 R:R:L83 5.54 1 Yes Yes 6 6 1 1
R:R:L83 R:R:Y284 3.52 1 Yes Yes 6 7 1 1
R:R:W91 R:R:Y87 8.68 0 Yes Yes 4 6 2 1
R:R:L107 R:R:M103 4.24 1 Yes Yes 6 5 1 2
R:R:L104 R:R:S179 6.01 0 No No 5 4 2 1
R:R:L107 R:R:Y284 5.86 1 Yes Yes 6 7 1 1
R:R:F180 R:R:R111 3.21 1 Yes Yes 3 8 1 1
R:R:E196 R:R:R111 4.65 0 Yes Yes 5 8 2 1
R:R:R111 R:R:T283 6.47 1 Yes No 8 8 1 2
R:R:R111 R:R:Y284 4.12 1 Yes Yes 8 7 1 1
R:R:H189 R:R:S179 8.37 1 Yes No 5 4 2 1
R:R:F180 R:R:H189 9.05 1 Yes Yes 3 5 1 2
R:R:F180 R:R:F193 16.08 1 Yes No 3 6 1 2
R:R:F180 R:R:R251 5.34 1 Yes Yes 3 5 1 2
R:R:F180 R:R:F276 3.22 1 Yes Yes 3 4 1 2
R:R:F180 R:R:L280 7.31 1 Yes No 3 5 1 1
R:R:E196 R:R:F193 4.66 0 Yes No 5 6 2 2
R:R:F193 R:R:S247 5.28 0 No Yes 6 6 2 2
R:R:F276 R:R:S247 6.61 1 Yes Yes 4 6 2 2
R:R:L280 R:R:S247 3 1 No Yes 5 6 1 2
R:R:F276 R:R:R251 12.83 1 Yes Yes 4 5 2 2
R:R:S281 R:R:Y284 3.82 0 No Yes 6 7 2 1
StatisticsValue
Average Number Of Links8.00
Average Number Of Links With An Hub6.00
Average Interaction Strength8.88
Average Nodes In Shell22.00
Average Hubs In Shell15.00
Average Links In Shell36.00
Average Links Mediated by Hubs In Shell35.00
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
9IQT A Alicarboxylic acid Hydroxycarboxylic acid HCA2 Homo Sapiens Niacin - Gi1/Beta1/Gamma2 2.9 2024-10-02 doi.org/10.1016/j.jmb.2024.168795

A 2D representation of the interactions of NIO in 9IQT
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:L34 R:R:L80 5.54 2 Yes No 8 8 2 2
R:R:L34 R:R:L83 4.15 2 Yes Yes 8 6 2 1
R:R:L34 R:R:Y87 4.69 2 Yes Yes 8 6 2 2
R:R:E37 R:R:Y284 4.49 2 Yes Yes 7 7 2 1
R:R:L76 R:R:Y284 7.03 0 No Yes 7 7 2 1
R:R:C79 R:R:M103 3.24 2 No Yes 6 5 2 2
R:R:C79 R:R:L107 4.76 2 No Yes 6 6 2 1
R:R:L80 R:R:Y284 8.21 0 No Yes 8 7 2 1
R:R:L83 R:R:Y87 12.89 2 Yes Yes 6 6 1 2
R:R:L83 R:R:M103 4.24 2 Yes Yes 6 5 1 2
R:R:L107 R:R:L83 5.54 2 Yes Yes 6 6 1 1
R:R:L83 R:R:Y284 3.52 2 Yes Yes 6 7 1 1
L:L:?1 R:R:L83 5.13 2 Yes Yes 0 6 0 1
R:R:L107 R:R:M103 4.24 2 Yes Yes 6 5 1 2
R:R:C177 R:R:L104 3.17 2 No No 9 5 2 1
R:R:L104 R:R:S179 10.51 2 No Yes 5 4 1 1
L:L:?1 R:R:L104 10.27 2 Yes No 0 5 0 1
R:R:L107 R:R:Y284 7.03 2 Yes Yes 6 7 1 1
L:L:?1 R:R:L107 20.53 2 Yes Yes 0 6 0 1
R:R:F180 R:R:R111 4.28 2 Yes Yes 3 8 1 1
R:R:F193 R:R:R111 8.55 2 No Yes 6 8 2 1
R:R:E196 R:R:R111 6.98 2 Yes Yes 5 8 2 1
R:R:F244 R:R:R111 5.34 2 Yes Yes 8 8 2 1
R:R:R111 R:R:T283 7.76 2 Yes Yes 8 8 1 2
L:L:?1 R:R:R111 6.76 2 Yes Yes 0 8 0 1
R:R:L162 R:R:S179 6.01 2 Yes Yes 4 4 2 1
R:R:H189 R:R:L162 14.14 2 Yes Yes 5 4 2 2
R:R:L176 R:R:S178 6.01 2 Yes No 4 4 2 1
L:L:?1 R:R:S178 4.18 2 Yes No 0 4 0 1
R:R:H189 R:R:S179 6.97 2 Yes Yes 5 4 2 1
L:L:?1 R:R:S179 8.35 2 Yes Yes 0 4 0 1
R:R:F180 R:R:H189 20.36 2 Yes Yes 3 5 1 2
R:R:F180 R:R:F193 10.72 2 Yes No 3 6 1 2
R:R:F180 R:R:R251 3.21 2 Yes Yes 3 5 1 2
R:R:F180 R:R:F276 8.57 2 Yes Yes 3 4 1 2
R:R:F180 R:R:L280 3.65 2 Yes Yes 3 5 1 2
L:L:?1 R:R:F180 9.03 2 Yes Yes 0 3 0 1
R:R:E196 R:R:F193 4.66 2 Yes No 5 6 2 2
R:R:F244 R:R:T283 9.08 2 Yes Yes 8 8 2 2
R:R:F276 R:R:R251 8.55 2 Yes Yes 4 5 2 2
R:R:F276 R:R:L280 6.09 2 Yes Yes 4 5 2 2
R:R:L280 R:R:T283 4.42 2 Yes Yes 5 8 2 2
R:R:T283 R:R:Y284 3.75 2 Yes Yes 8 7 2 1
L:L:?1 R:R:Y284 9.78 2 Yes Yes 0 7 0 1
R:R:S178 R:R:S181 1.63 0 No No 4 4 1 2
StatisticsValue
Average Number Of Links8.00
Average Number Of Links With An Hub6.00
Average Interaction Strength9.25
Average Nodes In Shell28.00
Average Hubs In Shell20.00
Average Links In Shell45.00
Average Links Mediated by Hubs In Shell43.00
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 Links8.59
Average Number Of Links With An Hub6.06
Average Interaction Strength7.97
Average Nodes In Shell25.53
Average Hubs In Shell15.65
Average Links In Shell40.65
Average Links Mediated by Hubs In Shell38.71

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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 🔍)