 |
| Predicted structure (top-ranked model) of DLK with ATP docked into the top-ranked binding pocket. |
|
Threading (top 3 templates)
| Rank |
PDB-ID |
Sequence identity |
Z-score |
Confidence |
| 1 | 1ad5A | 30.9% | 20.44 | high |
| 2 | 1m14A | 29.0% | 16.46 | high |
| 3 | 1jpaA | 33.8% | 15.90 | high |
Structure modeling (top 3 models)
| Model number |
C-score |
Confidence |
| 1 | 2.62 | high |
| 2 | -4.42 | low |
| 3 | -5.12 | low |
Binding pockets (top 3 pockets for the top-ranked model)
Pocket number
|
Pocket center
|
Binding residues |
| 1 | x = 10.253
y = 3.428
z = 4.085 | V7, G8, S9, G10, A11, Q12, V15, A26, K28, D37, I50, M66, E67, F68, C69, A70, Q71, G72, Q73, E76, K114, P116, N117, L119, S129, D130 |
| 2 | x = 1.480
y = 3.479
z = -18.009 | H46, P47, N48, G98, N101, Y102, L237 |
| 3 | x = 2.432
y = -2.533
z = 9.757 | S9, G10, A11, Q12, L33, Q73, Y75, D112, K114, S115, P116, N117, D130, G132, T133, S145, F146, A147, G148, T149, V150, A151, W152, M153, E178, I184, K187 |
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: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:0004674, GO:0005515 |
Virtual screening (top 3 compounds for each method)
|