 |
| Predicted structure (top-ranked model) of CaMK1d with ATP docked into the top-ranked binding pocket. |
|
Threading (top 3 templates)
| Rank |
PDB-ID |
Sequence identity |
Z-score |
Confidence |
| 1 | 1koa_ | 35.3% | 19.60 | high |
| 2 | 1tkiA | 33.1% | 16.62 | high |
| 3 | 2acxA | 33.2% | 15.71 | high |
Structure modeling (top 3 models)
| Model number |
C-score |
Confidence |
| 1 | 2.56 | high |
| 2 | -4.64 | low |
Binding pockets (top 3 pockets for the top-ranked model)
Pocket number
|
Pocket center
|
Binding residues |
| 1 | x = -9.729
y = -2.958
z = 4.448 | L7, G8, T9, G10, A11, F12, S13, V15, A28, K30, E47, L51, V60, M76, Q77, L78, V79, S80, G81, G82, E83, D86, K124, E126, N127, L129, S142, D143 |
| 2 | x = -0.379
y = -7.168
z = -17.009 | H56, E57, N58, D108, Y111, Y112, A252 |
| 3 | x = -17.248
y = -11.292
z = -4.344 | K25, L26, F27, E63, Q77, L78, S80 |
Molecular function (top 3 pockets)
Pocket number
|
Gene Ontology terms
|
| 1 | GO:0016772, GO:0004672, GO:0016301, GO:0003824, GO:0016740, GO:0016773, GO:0032553, GO:0000166, GO:0032555, GO:0017076, GO:0032559, GO:0005488, GO:0005524, GO:0030554, 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)
|