 |
| Predicted structure (top-ranked model) of COT with ATP docked into the top-ranked binding pocket. |
|
Threading (top 3 templates)
| Rank |
PDB-ID |
Sequence identity |
Z-score |
Confidence |
| 1 | 2acxA | 23.7% | 16.04 | high |
| 2 | 1ia8A | 23.7% | 15.78 | high |
| 3 | 1apmE | 21.0% | 15.54 | high |
Structure modeling (top 3 models)
| Model number |
C-score |
Confidence |
| 1 | 2.59 | high |
| 2 | -4.24 | low |
| 3 | -4.16 | low |
Binding pockets (top 3 pockets for the top-ranked model)
Pocket number
|
Pocket center
|
Binding residues |
| 1 | x = -10.115
y = -3.663
z = 4.790 | I9, P10, R11, G12, A13, F14, V17, A30, K32, D43, A56, M72, E73, A74, G75, E76, G78, S79, E82, K120, S122, N123, V125, V134, D135 |
| 2 | x = -9.164
y = 3.628
z = 1.487 | I9, F14, G15, V17, A30, C31, K32, I34, F39, K40, S42, D43, I46, Q47, F50, I55, A56, L58, L70, F71, M72, E73, A74, G75, L109, V114, I115, H116, H117, L133, V134, D135, F136, G137, L138 |
| 3 | x = -1.317
y = -6.379
z = -17.346 | H52, E53, N54, K104, D107, F108, L248 |
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)
|