CodeATP
NameATP
SynonymsAdenosine triphosphate disodium trihydrate
Identifier
FormulaC10 H16 N5 O13 P3
Molecular Weight507.181
SMILES
PubChem5957
Formal Charge0
Total Atoms47
Total Chiral Atoms6
Total Bonds49
Total Aromatic Bonds10
Networks4
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This ligand is also present in the following 4 networks:
Show PDB Class SubFamily Type SubType Species Orthosteric Ligand Other Ligand(s) Protein Partners Resolution Date DOI
9K0X A Nucleotide P2Y P2Y2 Homo sapiens ATP - chim(NtGi1-Gs-CtGq)/Beta1/Gamma2 2.83 2025-06-11 doi.org/10.1038/s41421-025-00797-x

A 2D representation of the interactions of ATP in 9K0X
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:Y23 32.33 1 Yes No 0 6 0 1
L:L:?1 R:R:F27 20.83 1 Yes Yes 0 2 0 1
L:L:?1 R:R:E29 8.04 1 Yes Yes 0 2 0 1
L:L:?1 R:R:K32 3.89 1 Yes Yes 0 3 0 1
L:L:?1 R:R:Y93 3.23 1 Yes Yes 0 6 0 1
L:L:?1 R:R:H184 3.55 1 Yes No 0 4 0 1
L:L:?1 R:R:D185 7.49 1 Yes Yes 0 4 0 1
L:L:?1 R:R:T186 12.2 1 Yes Yes 0 3 0 1
L:L:?1 R:R:Y268 6.47 1 Yes Yes 0 4 0 1
L:L:?1 R:R:R272 10.05 1 Yes Yes 0 3 0 1
L:L:?1 R:R:K289 8.56 1 Yes Yes 0 5 0 1
L:L:?1 R:R:R292 9.38 1 Yes Yes 0 6 0 1
R:R:E29 R:R:F27 4.66 1 Yes Yes 2 2 1 1
R:R:F27 R:R:Y268 6.19 1 Yes Yes 2 4 1 1
R:R:F27 R:R:L281 7.31 1 Yes No 2 1 1 2
R:R:F27 R:R:N285 14.5 1 Yes No 2 3 1 2
R:R:E29 R:R:K32 9.45 1 Yes Yes 2 3 1 1
R:R:D97 R:R:E29 3.9 0 No Yes 4 2 2 1
R:R:F31 R:R:K289 4.96 0 No Yes 5 5 2 1
R:R:K32 R:R:L36 5.64 1 Yes No 3 5 1 2
R:R:K32 R:R:Y93 3.58 1 Yes Yes 3 6 1 1
R:R:K289 R:R:K32 5.75 1 Yes Yes 5 3 1 1
R:R:L36 R:R:Y93 10.55 1 No Yes 5 6 2 1
R:R:Y40 R:R:Y93 4.96 1 Yes Yes 8 6 2 1
R:R:R292 R:R:Y40 4.12 1 Yes Yes 6 8 1 2
R:R:Y92 R:R:Y93 6.95 1 Yes Yes 6 6 2 1
R:R:D97 R:R:Y92 8.05 0 No Yes 4 6 2 2
R:R:R292 R:R:Y93 5.14 1 Yes Yes 6 6 1 1
R:R:D185 R:R:R110 21.44 1 Yes Yes 4 6 1 2
R:R:D185 R:R:Y114 8.05 1 Yes Yes 4 5 1 2
R:R:H184 R:R:T182 4.11 0 No No 4 4 1 2
R:R:D185 R:R:R292 4.76 1 Yes Yes 4 6 1 1
R:R:F195 R:R:T186 3.89 1 Yes Yes 2 3 2 1
R:R:T186 R:R:Y269 9.99 1 Yes Yes 3 5 1 2
R:R:R272 R:R:T186 10.35 1 Yes Yes 3 3 1 1
R:R:F192 R:R:R272 12.83 0 No Yes 2 3 2 1
R:R:F195 R:R:Y269 7.22 1 Yes Yes 2 5 2 2
R:R:Y268 R:R:Y269 2.98 1 Yes Yes 4 5 1 2
R:R:R272 R:R:Y268 21.61 1 Yes Yes 3 4 1 1
R:R:I284 R:R:Y268 8.46 0 No Yes 5 4 2 1
R:R:N285 R:R:Y268 9.3 1 No Yes 3 4 2 1
R:R:Y268 R:R:Y288 5.96 1 Yes Yes 4 5 1 2
R:R:K289 R:R:Y268 3.58 1 Yes Yes 5 4 1 1
R:R:I284 R:R:L281 2.85 0 No No 5 1 2 2
R:R:K289 R:R:N285 12.59 1 Yes No 5 3 1 2
R:R:K289 R:R:Y288 3.58 1 Yes Yes 5 5 1 2
R:R:R292 R:R:Y288 15.43 1 Yes Yes 6 5 1 2
R:R:K289 R:R:R292 8.66 1 Yes Yes 5 6 1 1
R:R:C25 R:R:F27 2.79 0 No Yes 9 2 2 1
R:R:H184 R:R:S175 2.79 0 No No 4 2 1 2
R:R:P37 R:R:Y93 2.78 0 No Yes 5 6 2 1
R:R:F27 R:R:N282 2.42 1 Yes No 2 3 1 2
StatisticsValue
Average Number Of Links12.00
Average Number Of Links With An Hub10.00
Average Interaction Strength10.50
Average Nodes In Shell32.00
Average Hubs In Shell18.00
Average Links In Shell52.00
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
9K20 A Nucleotide P2Y P2Y2 Homo sapiens ATP - chim(NtGi1-Go)/Beta1/Gamma2 2.65 2025-06-11 doi.org/10.1038/s41421-025-00797-x

A 2D representation of the interactions of ATP in 9K20
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:Y23 37.5 2 Yes No 0 6 0 1
L:L:?1 R:R:F27 25.53 2 Yes Yes 0 2 0 1
L:L:?1 R:R:E29 7.31 2 Yes Yes 0 2 0 1
L:L:?1 R:R:K32 3.89 2 Yes Yes 0 3 0 1
L:L:?1 R:R:Y93 7.11 2 Yes Yes 0 6 0 1
L:L:?1 R:R:H184 2.84 2 Yes No 0 4 0 1
L:L:?1 R:R:D185 8.23 2 Yes Yes 0 4 0 1
L:L:?1 R:R:T186 10.57 2 Yes Yes 0 3 0 1
L:L:?1 R:R:Y268 5.17 2 Yes Yes 0 4 0 1
L:L:?1 R:R:R272 16.75 2 Yes Yes 0 3 0 1
L:L:?1 R:R:K289 10.89 2 Yes Yes 0 5 0 1
L:L:?1 R:R:R292 8.71 2 Yes Yes 0 6 0 1
R:R:L21 R:R:Y23 4.69 0 No No 3 6 2 1
R:R:E29 R:R:F27 8.16 2 Yes Yes 2 2 1 1
R:R:F27 R:R:L281 6.09 2 Yes Yes 2 1 1 2
R:R:F27 R:R:N285 7.25 2 Yes Yes 2 3 1 2
R:R:E29 R:R:K32 13.5 2 Yes Yes 2 3 1 1
R:R:E29 R:R:Y33 3.37 2 Yes Yes 2 5 1 2
R:R:E29 R:R:N285 11.83 2 Yes Yes 2 3 1 2
R:R:F31 R:R:K32 3.72 2 No Yes 5 3 2 1
R:R:F31 R:R:K289 4.96 2 No Yes 5 5 2 1
R:R:K32 R:R:Y33 8.36 2 Yes Yes 3 5 1 2
R:R:K32 R:R:L36 5.64 2 Yes Yes 3 5 1 2
R:R:K32 R:R:Y93 4.78 2 Yes Yes 3 6 1 1
R:R:D97 R:R:K32 8.3 2 Yes Yes 4 3 2 1
R:R:K289 R:R:K32 10.06 2 Yes Yes 5 3 1 1
R:R:D97 R:R:Y33 3.45 2 Yes Yes 4 5 2 2
R:R:L36 R:R:Y93 7.03 2 Yes Yes 5 6 2 1
R:R:L36 R:R:R292 3.64 2 Yes Yes 5 6 2 1
R:R:R292 R:R:Y40 4.12 2 Yes Yes 6 8 1 2
R:R:Y92 R:R:Y93 11.91 2 Yes Yes 6 6 2 1
R:R:D97 R:R:Y92 13.79 2 Yes Yes 4 6 2 2
R:R:R110 R:R:Y92 3.09 2 Yes Yes 6 6 2 2
R:R:D97 R:R:Y93 5.75 2 Yes Yes 4 6 2 1
R:R:R110 R:R:Y93 4.12 2 Yes Yes 6 6 2 1
R:R:R292 R:R:Y93 4.12 2 Yes Yes 6 6 1 1
R:R:D185 R:R:R110 11.91 2 Yes Yes 4 6 1 2
R:R:D185 R:R:Y114 11.49 2 Yes Yes 4 5 1 2
R:R:H184 R:R:S175 5.58 0 No No 4 2 1 2
R:R:H184 R:R:P189 6.1 0 No No 4 3 1 2
R:R:D185 R:R:R292 3.57 2 Yes Yes 4 6 1 1
R:R:F192 R:R:T186 5.19 2 No Yes 2 3 2 1
R:R:F195 R:R:T186 7.78 2 Yes Yes 2 3 2 1
R:R:T186 R:R:Y269 4.99 2 Yes Yes 3 5 1 2
R:R:R272 R:R:T186 6.47 2 Yes Yes 3 3 1 1
R:R:F192 R:R:R272 14.97 2 No Yes 2 3 2 1
R:R:F195 R:R:Y269 3.09 2 Yes Yes 2 5 2 2
R:R:F261 R:R:Y288 6.19 2 Yes Yes 7 5 2 2
R:R:F261 R:R:R292 4.28 2 Yes Yes 7 6 2 1
R:R:Y268 R:R:Y269 4.96 2 Yes Yes 4 5 1 2
R:R:R272 R:R:Y268 18.52 2 Yes Yes 3 4 1 1
R:R:I284 R:R:Y268 3.63 0 No Yes 5 4 2 1
R:R:N285 R:R:Y268 3.49 2 Yes Yes 3 4 2 1
R:R:Y268 R:R:Y288 10.92 2 Yes Yes 4 5 1 2
R:R:I284 R:R:L281 2.85 0 No Yes 5 1 2 2
R:R:K289 R:R:N285 15.39 2 Yes Yes 5 3 1 2
R:R:R292 R:R:Y288 19.55 2 Yes Yes 6 5 1 2
R:R:K289 R:R:R292 7.43 2 Yes Yes 5 6 1 1
R:R:C25 R:R:F27 2.79 0 No Yes 9 2 2 1
R:R:P37 R:R:Y93 2.78 0 No Yes 5 6 2 1
R:R:F27 R:R:N282 1.21 2 Yes No 2 3 1 2
StatisticsValue
Average Number Of Links12.00
Average Number Of Links With An Hub10.00
Average Interaction Strength12.04
Average Nodes In Shell35.00
Average Hubs In Shell24.00
Average Links In Shell61.00
Average Links Mediated by Hubs In Shell58.00
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 Links11.25
Average Number Of Links With An Hub9.25
Average Interaction Strength11.87
Average Nodes In Shell31.75
Average Hubs In Shell18.75
Average Links In Shell50.50
Average Links Mediated by Hubs In Shell47.75

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 🔍)