 |
| Predicted structure (top-ranked model) of CDC7 with ATP docked into the top-ranked binding pocket. |
|
Threading (top 3 templates)
| Rank |
PDB-ID |
Sequence identity |
Z-score |
Confidence |
| 1 | 1dawA | 28.2% | 18.08 | high |
| 2 | 1ia8A | 25.1% | 16.90 | high |
| 3 | 1z57A | 24.6% | 15.59 | high |
Structure modeling (top 3 models)
| Model number |
C-score |
Confidence |
| 1 | -1.64 | low |
| 2 | -1.67 | low |
| 3 | -1.67 | low |
Binding pockets (top 3 pockets for the top-ranked model)
Pocket number
|
Pocket center
|
Binding residues |
| 1 | x = -3.361
y = -8.963
z = -7.144 | I7, G8, E9, G10, T11, F12, V15, A31, K33, E47, M61, M77, P78, Y79, L80, E81, E83, S84, D87, K122, S124, N125, L127, V138, D139 |
| 2 | x = -6.097
y = -4.534
z = -1.267 | I7, F12, S13, V15, A31, L32, K33, L35, R43, A46, E47, C50, L51, A54, V60, M61, V63, I75, A76, M77, P78, Y79, L80, I111, I116, V117, H118, R119, L137, V138, D139, F140, G141, L142 |
| 3 | x = 8.085
y = 12.220
z = -7.332 | Q57, D58, N59, K106, K109, R110, C405, T419, S420, D421, I422, Q423, G424, H425 |
Molecular function (top 3 pockets)
Pocket number
|
Gene Ontology terms
|
| 1 | GO:0004672, GO:0016773, GO:0003824, GO:0016772, GO:0016740, GO:0016301, GO:0005488, GO:0032553, GO:0032555, GO:0005524, GO:0032559, GO:0017076, GO:0000166, GO:0030554, 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)
|