|
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 | 0.31 | 3lupA | 0.894 | 2.12 | 0.264 | 0.979 | 1.09 | ELA | Download | 61,62,63,88,92,93,121,173,193,197,230,259,263,266,267,274,275 |
| 2 | 0.28 | 2g7zB | 0.890 | 1.89 | 0.224 | 0.961 | 1.06 | HXA | Download | 29,61,62,92,93,121,160,173,259,262,263,266,271,272,273 |
| 3 | 0.01 | 3kzbA | 0.464 | 5.15 | 0.049 | 0.677 | 0.41 | ADP | Download | 61,93,171,174 |
| 4 | 0.01 | 2almA | 0.458 | 5.81 | 0.048 | 0.738 | 0.41 | MG | Download | 170,171,265 |
| 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. |
|