 |
| Predicted structure (top-ranked model) of GCN2~b with ATP docked into the top-ranked binding pocket. |
|
Threading (top 3 templates)
| Rank |
PDB-ID |
Sequence identity |
Z-score |
Confidence |
| 1 | 1xqzA | 20.8% | 16.58 | high |
| 2 | 1ia8A | 19.3% | 16.01 | high |
| 3 | 1apmE | 22.0% | 15.46 | high |
Structure modeling (top 3 models)
| Model number |
C-score |
Confidence |
| 1 | 1.90 | medium |
| 2 | 0.14 | medium |
| 3 | -1.41 | low |
Binding pockets (top 3 pockets for the top-ranked model)
Pocket number
|
Pocket center
|
Binding residues |
| 1 | x = 6.603
y = -6.346
z = -1.781 | I7, G8, S9, D10, Q12, L13, G14, V17, L30, Y32, E67, V80, V100, E101, H102, I103, G105, V106, S107, A110, S148, S150, N151, L153, T163, D164 |
| 2 | x = 6.649
y = 1.495
z = 0.238 | L13, G14, V17, L30, L31, Y32, Q60, G63, T66, E67, S70, L71, L74, V79, V80, Y82, I98, L99, V100, E101, H102, I103, L137, V142, V143, H144, K145, I162, T163, D164, Y165, S166, I167 |
| 3 | x = -8.477
y = -4.858
z = 16.838 | H76, P77, N78, S132, D135, Y136, L255 |
Molecular function (top 3 pockets)
Pocket number
|
Gene Ontology terms
|
| 1 | GO:0016301, GO:0004672, GO:0016773, GO:0016740, GO:0016772, GO:0003824, GO:0005488, GO:0005524, GO:0032559, GO:0030554, GO:0032553, GO:0017076, GO:0032555, GO:0000166, GO:0004674, GO:0005515 |
| 2 | 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 |
| 3 | 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 |
Virtual screening (top 3 compounds for each method)
|