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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 | 3fgoA | 0.374 | 5.85 | 0.034 | 0.685 | 0.30 | CZA | complex1.pdb.gz | 171,174,180,193,205,208 |
| 2 | 0.01 | 3ar9A | 0.382 | 5.85 | 0.048 | 0.681 | 0.17 | TM1 | complex2.pdb.gz | 169,172,174,175,202 |
| 3 | 0.01 | 3nalA | 0.381 | 5.79 | 0.048 | 0.667 | 0.17 | DBK | complex3.pdb.gz | 11,85,90,120 |
| 4 | 0.01 | 3tw6A | 0.404 | 5.61 | 0.059 | 0.709 | 0.17 | ADP | complex4.pdb.gz | 84,120,122,123 |
| 5 | 0.01 | 3tw6D | 0.317 | 6.28 | 0.030 | 0.610 | 0.22 | ADP | complex5.pdb.gz | 174,175,182,207 |
| 6 | 0.01 | 2yfyA | 0.373 | 6.20 | 0.053 | 0.700 | 0.13 | 9TN | complex6.pdb.gz | 87,89,90 |
| 7 | 0.01 | 2o9jA | 0.325 | 6.31 | 0.067 | 0.624 | 0.18 | CZA | complex7.pdb.gz | 174,175,184 |
| 8 | 0.01 | 2oa0A | 0.336 | 6.10 | 0.057 | 0.610 | 0.28 | CZA | complex8.pdb.gz | 174,179,180,194,196,197,206 |
| 9 | 0.01 | 2agvA | 0.380 | 5.91 | 0.064 | 0.671 | 0.28 | PTY | complex9.pdb.gz | 172,174,198 |
| 10 | 0.01 | 2qf7A | 0.403 | 5.50 | 0.074 | 0.700 | 0.18 | SAP | complex10.pdb.gz | 175,190,205,206 |
| 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. |
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