|
Template proteins with similar binding site:
Click to view | Rank | CscoreLB | PDB Hit | TM-score | RMSDa | IDENa | Cov. | BS-score | Lig. Name | Download Complex | Predicted binding site residues |
| 1 | 0.01 | 1fiqA | 0.157 | 5.40 | 0.023 | 0.217 | 0.68 | FES | Download | 285,286,287,290,337,341,343 |
| 2 | 0.01 | 2ckjD | 0.336 | 7.63 | 0.043 | 0.582 | 0.63 | FES | Download | 266,267,280,281,282,283 |
| 3 | 0.01 | 2ckjA | 0.375 | 7.59 | 0.044 | 0.658 | 0.60 | FES | Download | 193,195,196,216 |
| 4 | 0.01 | 2ckjA | 0.375 | 7.59 | 0.044 | 0.658 | 0.68 | FES | Download | 265,266,267,336,337,338,339 |
| 5 | 0.01 | 2ckjD | 0.336 | 7.63 | 0.043 | 0.582 | 0.65 | FES | Download | 280,281,323,324,332 |
| Click on the radio buttons to visualize predicted binding site and residues. |
(a) | CscoreLB is the confidence score of predicted binding site. CscoreLB values range in between [0-1]; where a higher score indicates a more reliable ligand-binding site prediction. |
(b) | BS-score is a measure of local similarity (sequence & structure) between template binding site and predicted binding site in the query structure. Based on large scale benchmarking analysis, we have observed that a BS-score >1 reflects a significant local match between the predicted and template binding site.
| (c) | TM-score is a measure of global structural similarity between query and template protein. |
(d) | RMSDa the RMSD between residues that are structurally aligned by TM-align. |
(e) | IDENa is the percentage sequence identity in the structurally aligned region. |
(f) | Cov. represents the coverage of global structural alignment and is equal to the number of structurally aligned residues divided by length of the query protein. |
|