 |
| Predicted structure (top-ranked model) of RNAseL with ATP docked into the top-ranked binding pocket. |
|
Threading (top 3 templates)
| Rank |
PDB-ID |
Sequence identity |
Z-score |
Confidence |
| 1 | 1ia8A | 17.1% | 15.38 | high |
| 2 | 1xqzA | 21.3% | 15.19 | high |
| 3 | 1i09A | 19.0% | 14.88 | high |
Structure modeling (top 3 models)
| Model number |
C-score |
Confidence |
| 1 | 2.11 | high |
| 2 | 1.67 | medium |
| 3 | -0.67 | low |
Binding pockets (top 3 pockets for the top-ranked model)
Pocket number
|
Pocket center
|
Binding residues |
| 1 | x = -9.825
y = 2.814
z = -3.998 | I3, A4, D5, T6, S7, E8, G9, I11, A22, K24, E36, L40, V50, V66, T67, L68, C69, E70, T72, L73, C76, Q119, Q121, N122, L124, A134, D135 |
| 2 | x = 0.995
y = 2.787
z = 17.099 | N46, S47, H48, K102, Q105, E106, L213 |
| 3 | x = -16.364
y = 9.882
z = 6.592 | Q19, E20, V21, Y53, T67, L68, E70 |
Molecular function (top 3 pockets)
Pocket number
|
Gene Ontology terms
|
| 1 | GO:0016301, GO:0016772, GO:0003824, GO:0016773, GO:0016740, GO:0004672, GO:0005488, GO:0000166, GO:0030554, GO:0005524, GO:0032553, GO:0032555, GO:0032559, 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: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)
|