|
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 | 0.25 | 3otoB | 0.778 | 1.30 | 0.430 | 0.805 | 1.41 | MG | Download | 19,74,166,191,205 |
| 2 | 0.06 | 1i94B | 0.668 | 2.50 | 0.337 | 0.726 | 1.07 | WO2 | Download | 76,207,208 |
| 3 | 0.05 | 1vi60 | 0.598 | 2.19 | 0.277 | 0.651 | 1.17 | III | Download | 26,27,30,46,49,50,56,57,60,61,160,178,181,196,197,198,199 |
| 4 | 0.01 | 3pr3A | 0.462 | 4.98 | 0.090 | 0.657 | 0.48 | F6P | Download | 73,75,166 |
| 5 | 0.01 | 3pr3A | 0.462 | 4.98 | 0.090 | 0.657 | 0.40 | PO4 | Download | 18,44,47,201 |
| 6 | 0.01 | 1kqfA | 0.511 | 6.09 | 0.060 | 0.822 | 0.41 | SF4 | Download | 71,72,73,96,97,99 |
| 7 | 0.01 | 1aa6A | 0.489 | 5.67 | 0.069 | 0.757 | 0.53 | SF4 | Download | 18,21,29,33,34,190,191 |
| 8 | 0.01 | 1ogyA | 0.533 | 5.25 | 0.045 | 0.788 | 0.41 | SF4 | Download | 15,16,17,33,34 |
| 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. |
|