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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 | 0.61 | 3gqiA | 0.449 | 2.32 | 0.340 | 0.473 | 0.99 | ACP | complex1.pdb.gz | 336,337,342,344,362,364,412,414,418,469,470,472,483 |
| 2 | 0.35 | 1fgiA | 0.434 | 2.07 | 0.351 | 0.455 | 0.89 | SU1 | complex2.pdb.gz | 336,337,362,411,412,413,414,417,418,472 |
| 3 | 0.16 | 3krwA | 0.444 | 4.19 | 0.144 | 0.516 | 1.25 | BA1 | complex3.pdb.gz | 336,337,338,339,340,341,342,344,362,364,366,381,394,412,413,414,468,472,482,483,485 |
| 4 | 0.15 | 2acxA | 0.453 | 4.29 | 0.147 | 0.522 | 1.07 | ANP | complex4.pdb.gz | 338,339,340,344,363,413,414,472,483 |
| 5 | 0.14 | 3nynB | 0.448 | 4.08 | 0.139 | 0.511 | 1.12 | SGV | complex5.pdb.gz | 344,411,412,414,418,469,472,483 |
| 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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