 |
| Predicted structure (top-ranked model) of DDR2 with ATP docked into the top-ranked binding pocket. |
|
Threading (top 3 templates)
| Rank |
PDB-ID |
Sequence identity |
Z-score |
Confidence |
| 1 | 1ad5A | 37.1% | 25.70 | high |
| 2 | 1m14A | 33.5% | 18.05 | high |
| 3 | 1agwA | 38.0% | 17.19 | high |
Structure modeling (top 3 models)
| Model number |
C-score |
Confidence |
| 1 | 2.39 | high |
| 2 | -3.43 | low |
| 3 | -3.80 | low |
Binding pockets (top 3 pockets for the top-ranked model)
Pocket number
|
Pocket center
|
Binding residues |
| 1 | x = -8.417
y = -2.419
z = 5.560 | L7, G8, E9, G10, Q11, F12, V15, A44, K46, E63, I76, T92, E93, Y94, M95, E96, N97, G98, D99, Q102, A150, R152, N153, L155, A165, D166 |
| 2 | x = -2.374
y = -5.797
z = -17.213 | D72, P73, N74, S134, K137, Y138, H284 |
| 3 | x = -18.203
y = -8.151
z = -2.888 | V41, L42, V43, L79, E93, Y94, E96 |
Molecular function (top 3 pockets)
Pocket number
|
Gene Ontology terms
|
| 1 | GO:0016740, GO:0004672, GO:0016301, GO:0003824, GO:0016773, GO:0016772, GO:0005488, GO:0032553, GO:0000166, GO:0030554, GO:0032559, GO:0017076, GO:0032555, GO:0005524, GO:0004674, GO:0005515 |
| 2 | GO:0004674, GO:0003824, GO:0004672, GO:0016740, GO:0016301, GO:0016772, GO:0016773, GO:0005524, GO:0030554, GO:0000166, GO:0032553, GO:0032555, GO:0032559, GO:0017076, GO:0005488, GO:0005515 |
| 3 | GO:0032559, GO:0004674, GO:0003824, GO:0004672, GO:0016740, GO:0000166, GO:0005524, GO:0017076, GO:0016301, GO:0016772, GO:0005488, GO:0032555, GO:0030554, GO:0016773, GO:0032553, GO:0004676, GO:0005515 |
Virtual screening (top 3 compounds for each method)
|