|
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 | 2j016 | 0.337 | 4.14 | 0.118 | 0.640 | 0.31 | III | Download | 38,39,43,45,46 |
| 2 | 0.01 | 2f4v2 | 0.312 | 4.25 | 0.031 | 0.600 | 0.33 | III | Download | 41,55,58,59,62 |
| 3 | 0.01 | 2l1lB | 0.419 | 4.15 | 0.043 | 0.813 | 0.17 | III | Download | 40,42,51,54,55,58,61 |
| 4 | 0.01 | 1gw6A | 0.482 | 3.31 | 0.111 | 0.813 | 0.11 | BES | Download | 39,40,41,42 |
| 5 | 0.01 | 3b7tA | 0.508 | 3.43 | 0.062 | 0.840 | 0.15 | III | Download | 38,39,61 |
| 6 | 0.01 | 3ftxA | 0.371 | 4.56 | 0.078 | 0.787 | 0.32 | RE2 | Download | 34,40,42,47,54,57,58,59 |
| 7 | 0.01 | 2j011 | 0.285 | 4.47 | 0.055 | 0.587 | 0.11 | III | Download | 40,41,44 |
| 8 | 0.01 | 1w9c0 | 0.455 | 4.24 | 0.070 | 0.880 | 0.17 | III | Download | 50,51,53,54,57,61 |
| 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. |
|