|
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 | 0.09 | 1bxrA | 0.382 | 7.21 | 0.059 | 0.680 | 0.12 | ANP | complex1.pdb.gz | 37,39,74,75,76,86,87,88 |
| 2 | 0.01 | 1ik3A | 0.370 | 6.73 | 0.052 | 0.609 | 0.11 | 13S | complex2.pdb.gz | 72,73,82,85,90,91 |
| 3 | 0.01 | 1it7A | 0.385 | 7.08 | 0.049 | 0.675 | 0.28 | GUN | complex3.pdb.gz | 4,7,8,92 |
| 4 | 0.01 | 1it8A | 0.382 | 7.10 | 0.064 | 0.653 | 0.19 | PQ0 | complex4.pdb.gz | 37,39,92,95 |
| 5 | 0.01 | 1vt4I | 0.391 | 6.79 | 0.036 | 0.661 | 0.11 | DTP | complex5.pdb.gz | 37,40,54 |
| 6 | 0.01 | 1a9x1 | 0.360 | 6.89 | 0.043 | 0.615 | 0.31 | III | complex6.pdb.gz | 36,37,39,92,93,94 |
| 7 | 0.01 | 1jdbH | 0.371 | 6.76 | 0.042 | 0.626 | 0.37 | GLN | complex7.pdb.gz | 40,41,42,49,50 |
| 8 | 0.01 | 1a9xA | 0.360 | 6.89 | 0.043 | 0.615 | 0.25 | ADP | complex8.pdb.gz | 36,38,76,77,87,88,89,90 |
| 9 | 0.01 | 1t36A | 0.343 | 7.00 | 0.028 | 0.601 | 0.21 | U | complex9.pdb.gz | 39,41,42,91 |
| | 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. |
|