|
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 | 3eubS | 0.155 | 5.07 | 0.023 | 0.208 | 0.63 | FES | complex1.pdb.gz | 42,43,44,61,73 |
| 2 | 0.01 | 1fiqA | 0.146 | 6.11 | 0.045 | 0.223 | 0.45 | FES | complex2.pdb.gz | 73,97,98,99 |
| 3 | 0.01 | 1v97A | 0.325 | 7.71 | 0.037 | 0.584 | 0.40 | FES | complex3.pdb.gz | 42,62,69,70,71,72 |
| 4 | 0.01 | 1fiqA | 0.146 | 6.11 | 0.045 | 0.223 | 0.68 | FES | complex4.pdb.gz | 42,43,59,62,69,71 |
| 5 | 0.01 | 1siwA | 0.381 | 6.97 | 0.030 | 0.632 | 0.56 | SF4 | complex5.pdb.gz | 60,72,73 |
| 6 | 0.01 | 2ckjB | 0.293 | 7.52 | 0.032 | 0.521 | 0.54 | FES | complex6.pdb.gz | 39,40,41,42,60,68,70 |
| 7 | 0.01 | 2iahA | 0.322 | 7.36 | 0.053 | 0.560 | 0.40 | PVE | complex7.pdb.gz | 49,56,74 |
| 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. |
|