| Show | PDB | Class | SubFamily | Type | SubType | Species | Orthosteric Ligand | Other Ligand(s) | Protein Partners | Resolution | Date | DOI |
| 8GNG | A | Nucleotide | Adenosine | A2A | Homo Sapiens | Istradefylline | - | - | 3.2 | 2023-03-22 | 10.1124/molpharm.122.000633 |
|
A 2D representation of the interactions of JQ9 in 8GNG
colored according to ConSurf Conservation Grade (See documentation):
(Click to enlarge 🔍) | | Node1 | Node2 | LinkStrength | Comm | IsNode1Hub? | IsNode2Hub? | Node1Cons | Node2Cons | Node1Shell | Node2Shell | | L:L:?1 | R:R:V84 | 7.99 | 0 | Yes | No | 0 | 6 | 0 | 1 | | L:L:?1 | R:R:F168 | 38.27 | 0 | Yes | Yes | 0 | 4 | 0 | 1 | | L:L:?1 | R:R:E169 | 10.16 | 0 | Yes | Yes | 0 | 3 | 0 | 1 | | L:L:?1 | R:R:L249 | 11.67 | 0 | Yes | No | 0 | 5 | 0 | 1 | | L:L:?1 | R:R:N253 | 6.31 | 0 | Yes | No | 0 | 5 | 0 | 1 | | L:L:?1 | R:R:L267 | 8.49 | 0 | Yes | No | 0 | 3 | 0 | 1 | | L:L:?1 | R:R:M270 | 4.33 | 0 | Yes | No | 0 | 4 | 0 | 1 | | L:L:?1 | R:R:I274 | 12.03 | 0 | Yes | No | 0 | 4 | 0 | 1 | | R:R:A59 | R:R:V84 | 3.39 | 0 | No | No | 6 | 6 | 2 | 1 | | R:R:G69 | R:R:L167 | 3.42 | 0 | No | Yes | 4 | 4 | 2 | 1 | | R:R:L85 | R:R:V84 | 2.98 | 2 | Yes | No | 4 | 6 | 2 | 1 | | R:R:L85 | R:R:M177 | 5.65 | 2 | Yes | Yes | 4 | 6 | 2 | 2 | | R:R:D170 | R:R:L167 | 8.14 | 0 | No | Yes | 4 | 4 | 2 | 1 | | R:R:F168 | R:R:V172 | 13.11 | 2 | Yes | Yes | 4 | 3 | 1 | 2 | | R:R:F168 | R:R:M177 | 7.46 | 2 | Yes | Yes | 4 | 6 | 1 | 2 | | R:R:E169 | R:R:M174 | 4.06 | 1 | Yes | Yes | 3 | 4 | 1 | 2 | | R:R:E169 | R:R:T256 | 5.64 | 1 | Yes | No | 3 | 4 | 1 | 2 | | R:R:E169 | R:R:H264 | 9.85 | 1 | Yes | No | 3 | 2 | 1 | 2 | | R:R:M177 | R:R:V172 | 4.56 | 2 | Yes | Yes | 6 | 3 | 2 | 2 | | R:R:M174 | R:R:N253 | 7.01 | 1 | Yes | No | 4 | 5 | 2 | 1 | | R:R:M174 | R:R:T256 | 3.01 | 1 | Yes | No | 4 | 4 | 2 | 2 | | R:R:M177 | R:R:N253 | 4.21 | 2 | Yes | No | 6 | 5 | 2 | 1 | | R:R:A273 | R:R:L249 | 3.15 | 0 | No | No | 6 | 5 | 2 | 1 | | R:R:I252 | R:R:M270 | 2.92 | 0 | No | No | 5 | 4 | 2 | 1 | | R:R:H264 | R:R:T256 | 10.95 | 1 | No | No | 2 | 4 | 2 | 2 | | R:R:H264 | R:R:M270 | 3.94 | 1 | No | No | 2 | 4 | 2 | 1 | | R:R:A81 | R:R:F168 | 2.77 | 0 | No | Yes | 5 | 4 | 2 | 1 | | L:L:?1 | R:R:L167 | 2.12 | 0 | Yes | Yes | 0 | 4 | 0 | 1 | | R:R:A165 | R:R:L167 | 1.58 | 0 | No | Yes | 3 | 4 | 2 | 1 | |
| Statistics | Value |
|---|
| Average Number Of Links | 9.00 | | Average Number Of Links With An Hub | 3.00 | | Average Interaction Strength | 11.26 | | Average Nodes In Shell | 23.00 | | Average Hubs In Shell | 8.00 | | Average Links In Shell | 29.00 | | Average Links Mediated by Hubs In Shell | 24.00 |
| 
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 |
| 8RW0 | A | Nucleotide | Adenosine | A2A | Homo Sapiens | Istradefylline | Na | - | 1.94 | 2025-01-08 | 10.1038/s41467-024-55109-w |
|
A 2D representation of the interactions of JQ9 in 8RW0
colored according to ConSurf Conservation Grade (See documentation):
(Click to enlarge 🔍) | | Node1 | Node2 | LinkStrength | Comm | IsNode1Hub? | IsNode2Hub? | Node1Cons | Node2Cons | Node1Shell | Node2Shell | | L:L:?1 | R:R:V84 | 3.43 | 2 | Yes | No | 0 | 6 | 0 | 1 | | L:L:?1 | R:R:F168 | 48.54 | 2 | Yes | Yes | 0 | 4 | 0 | 1 | | L:L:?1 | R:R:E169 | 15.23 | 2 | Yes | No | 0 | 3 | 0 | 1 | | L:L:?1 | R:R:L249 | 20.15 | 2 | Yes | No | 0 | 5 | 0 | 1 | | L:L:?1 | R:R:N253 | 8.42 | 2 | Yes | No | 0 | 5 | 0 | 1 | | L:L:?1 | R:R:L267 | 8.49 | 2 | Yes | No | 0 | 3 | 0 | 1 | | L:L:?1 | R:R:M270 | 8.67 | 2 | Yes | No | 0 | 4 | 0 | 1 | | L:L:?1 | R:R:Y271 | 3.59 | 2 | Yes | Yes | 0 | 3 | 0 | 1 | | L:L:?1 | R:R:I274 | 13.13 | 2 | Yes | No | 0 | 4 | 0 | 1 | | R:R:S67 | R:R:Y9 | 5.09 | 2 | No | Yes | 3 | 5 | 2 | 2 | | R:R:Y271 | R:R:Y9 | 27.8 | 2 | Yes | Yes | 3 | 5 | 1 | 2 | | R:R:I274 | R:R:Y9 | 6.04 | 0 | No | Yes | 4 | 5 | 1 | 2 | | R:R:A59 | R:R:V84 | 3.39 | 0 | No | No | 6 | 6 | 2 | 1 | | R:R:S67 | R:R:Y271 | 5.09 | 2 | No | Yes | 3 | 3 | 2 | 1 | | R:R:F168 | R:R:V172 | 13.11 | 0 | Yes | No | 4 | 3 | 1 | 2 | | R:R:F168 | R:R:M177 | 6.22 | 0 | Yes | Yes | 4 | 6 | 1 | 2 | | R:R:E169 | R:R:M174 | 5.41 | 0 | No | Yes | 3 | 4 | 1 | 2 | | R:R:E169 | R:R:H264 | 11.08 | 0 | No | No | 3 | 2 | 1 | 2 | | R:R:M174 | R:R:N253 | 8.41 | 0 | Yes | No | 4 | 5 | 2 | 1 | | R:R:M177 | R:R:N253 | 4.21 | 1 | Yes | No | 6 | 5 | 2 | 1 | | R:R:H264 | R:R:M270 | 5.25 | 0 | No | No | 2 | 4 | 2 | 1 | | R:R:L267 | R:R:Y271 | 16.41 | 2 | No | Yes | 3 | 3 | 1 | 1 | | R:R:H278 | R:R:I274 | 3.98 | 2 | Yes | No | 6 | 4 | 2 | 1 | | R:R:A273 | R:R:L249 | 3.15 | 0 | No | No | 6 | 5 | 2 | 1 | | R:R:I252 | R:R:M270 | 2.92 | 0 | No | No | 5 | 4 | 2 | 1 | | R:R:A81 | R:R:F168 | 2.77 | 0 | No | Yes | 5 | 4 | 2 | 1 | |
| Statistics | Value |
|---|
| Average Number Of Links | 9.00 | | Average Number Of Links With An Hub | 2.00 | | Average Interaction Strength | 14.41 | | Average Nodes In Shell | 21.00 | | Average Hubs In Shell | 7.00 | | Average Links In Shell | 26.00 | | Average Links Mediated by Hubs In Shell | 21.00 |
| 
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 |
| 9FUP | A | Nucleotide | Adenosine | A2A | Homo Sapiens | Istradefylline | Na | - | 2.5 | 2025-01-22 | doi.org/10.1038/s42004-024-01404-y |
|
A 2D representation of the interactions of JQ9 in 9FUP
colored according to ConSurf Conservation Grade (See documentation):
(Click to enlarge 🔍) | | Node1 | Node2 | LinkStrength | Comm | IsNode1Hub? | IsNode2Hub? | Node1Cons | Node2Cons | Node1Shell | Node2Shell | | L:L:?1 | R:R:F168 | 56.94 | 1 | Yes | Yes | 0 | 4 | 0 | 1 | | L:L:?1 | R:R:E169 | 17.26 | 1 | Yes | Yes | 0 | 3 | 0 | 1 | | L:L:?1 | R:R:M177 | 4.33 | 1 | Yes | Yes | 0 | 6 | 0 | 1 | | L:L:?1 | R:R:L249 | 19.09 | 1 | Yes | No | 0 | 5 | 0 | 1 | | L:L:?1 | R:R:N253 | 8.42 | 1 | Yes | No | 0 | 5 | 0 | 1 | | L:L:?1 | R:R:L267 | 6.36 | 1 | Yes | No | 0 | 3 | 0 | 1 | | L:L:?1 | R:R:M270 | 6.5 | 1 | Yes | No | 0 | 4 | 0 | 1 | | L:L:?1 | R:R:I274 | 10.94 | 1 | Yes | No | 0 | 4 | 0 | 1 | | R:R:G69 | R:R:L167 | 3.42 | 0 | No | Yes | 4 | 4 | 2 | 1 | | R:R:L85 | R:R:Y176 | 3.52 | 1 | No | Yes | 4 | 6 | 2 | 2 | | R:R:L85 | R:R:M177 | 4.24 | 1 | No | Yes | 4 | 6 | 2 | 1 | | R:R:L85 | R:R:N181 | 8.24 | 1 | No | Yes | 4 | 5 | 2 | 2 | | R:R:K153 | R:R:L167 | 4.23 | 1 | Yes | Yes | 4 | 4 | 2 | 1 | | R:R:D170 | R:R:K153 | 9.68 | 1 | No | Yes | 4 | 4 | 2 | 2 | | R:R:D170 | R:R:L167 | 8.14 | 1 | No | Yes | 4 | 4 | 2 | 1 | | R:R:F168 | R:R:V172 | 15.73 | 1 | Yes | No | 4 | 3 | 1 | 2 | | R:R:F168 | R:R:M177 | 4.98 | 1 | Yes | Yes | 4 | 6 | 1 | 1 | | R:R:E169 | R:R:M174 | 6.77 | 1 | Yes | No | 3 | 4 | 1 | 2 | | R:R:E169 | R:R:T256 | 5.64 | 1 | Yes | No | 3 | 4 | 1 | 2 | | R:R:E169 | R:R:H264 | 11.08 | 1 | Yes | No | 3 | 2 | 1 | 2 | | R:R:M174 | R:R:N253 | 4.21 | 0 | No | No | 4 | 5 | 2 | 1 | | R:R:M177 | R:R:Y176 | 3.59 | 1 | Yes | Yes | 6 | 6 | 1 | 2 | | R:R:N181 | R:R:Y176 | 6.98 | 1 | Yes | Yes | 5 | 6 | 2 | 2 | | R:R:M177 | R:R:N181 | 7.01 | 1 | Yes | Yes | 6 | 5 | 1 | 2 | | R:R:H264 | R:R:T256 | 12.32 | 1 | No | No | 2 | 4 | 2 | 2 | | R:R:H264 | R:R:M270 | 3.94 | 1 | No | No | 2 | 4 | 2 | 1 | | R:R:L267 | R:R:Y271 | 7.03 | 0 | No | No | 3 | 3 | 1 | 2 | | R:R:H278 | R:R:I274 | 5.3 | 3 | Yes | No | 6 | 4 | 2 | 1 | | R:R:A273 | R:R:L249 | 3.15 | 0 | No | No | 6 | 5 | 2 | 1 | | R:R:I252 | R:R:M270 | 2.92 | 0 | No | No | 5 | 4 | 2 | 1 | | R:R:A81 | R:R:F168 | 2.77 | 0 | No | Yes | 5 | 4 | 2 | 1 | | L:L:?1 | R:R:L167 | 2.12 | 1 | Yes | Yes | 0 | 4 | 0 | 1 | |
| Statistics | Value |
|---|
| Average Number Of Links | 9.00 | | Average Number Of Links With An Hub | 4.00 | | Average Interaction Strength | 14.66 | | Average Nodes In Shell | 25.00 | | Average Hubs In Shell | 9.00 | | Average Links In Shell | 32.00 | | Average Links Mediated by Hubs In Shell | 26.00 |
| 
Physico-chemical properties of the nodes interacting with this ligand (click to enlarge 🔍) | 
Location of the nodes interacting with this ligand (click to enlarge 🔍) |
|
