|
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 | 0.18 | 1eygB | 0.635 | 1.03 | 0.330 | 0.664 | 1.24 | QNA | Download | 9,10,11,12,29,31,33,40,42,44,45,46,50,63,64,72,74,76,79,87,88,89,91 |
| 2 | 0.15 | 2vw9B | 0.631 | 1.34 | 0.333 | 0.678 | 1.39 | QNA | Download | 9,10,17,19,25,31,44,48,50,63,72,76,78,88 |
| 3 | 0.10 | 1z9f0 | 0.560 | 0.96 | 0.341 | 0.582 | 1.37 | III | Download | 2,3,4,5,6,7,8,9,31,32,33,34,42,43,44,45,66,73,74,75,77,89 |
| 4 | 0.06 | 1eygA | 0.644 | 1.13 | 0.323 | 0.678 | 1.18 | QNA | Download | 9,11,12,17,19,27,29,33,40,41,42,44,46,50,63,74,76,78,88 |
| 5 | 0.06 | 1eygD | 0.660 | 1.25 | 0.314 | 0.699 | 1.20 | QNA | Download | 9,10,11,17,25,27,34,35,36,41,42,44,46,48,50,63,64,72,74,76,77,87,90,92 |
| 6 | 0.03 | 1qzhA | 0.504 | 3.42 | 0.096 | 0.657 | 0.83 | QNA | Download | 17,19,20,21,46,48,50,52,72,74,76,90,92,93,94 |
| 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. |
|