 |
| Predicted structure (top-ranked model) of GCN2 with ATP docked into the top-ranked binding pocket. |
|
Threading (top 3 templates)
| Rank |
PDB-ID |
Sequence identity |
Z-score |
Confidence |
| 1 | 1ia8A | 28.7% | 15.85 | high |
| 2 | 1tkiA | 19.4% | 15.75 | high |
| 3 | 1h1wA | 29.8% | 15.69 | high |
Structure modeling (top 3 models)
| Model number |
C-score |
Confidence |
| 1 | -0.01 | low |
| 2 | -0.71 | low |
| 3 | -0.97 | low |
Binding pockets (top 3 pockets for the top-ranked model)
Pocket number
|
Pocket center
|
Binding residues |
| 1 | x = 1.861
y = -2.053
z = -8.856 | L7, G8, K9, G10, A11, F12, V15, A28, K30, E47, V60, S197, M213, E214, Y215, C216, E217, S219, T220, D223, K261, V263, N264, F266, G276, D277 |
| 2 | x = -2.253
y = -16.073
z = 9.973 | H56, E57, N58, G193, D245, A248, Y249, L407 |
| 3 | x = 18.163
y = 1.234
z = -15.195 | F1, E2, E3, V29, R31, T203, A205, Y208, Y210, Q212 |
Molecular function (top 3 pockets)
Pocket number
|
Gene Ontology terms
|
| 1 | GO:0003824, GO:0004672, GO:0016773, GO:0016301, GO:0016772, GO:0016740, GO:0005488, GO:0005524, GO:0032553, GO:0030554, GO:0000166, GO:0032559, GO:0032555, GO:0017076, 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:0005524, GO:0017076, GO:0032559, GO:0004674, GO:0016301, GO:0016772, GO:0005488, GO:0003824, GO:0032555, GO:0030554, GO:0016773, GO:0004672, GO:0016740, GO:0032553, GO:0000166, GO:0005515 |
Virtual screening (top 3 compounds for each method)
|