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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 | 0.75 | 1xjdA | 0.414 | 1.23 | 0.617 | 0.420 | 1.00 | STU | complex1.pdb.gz | 348,349,350,356,369,371,420,421,422,423,426,427,470,471,473 |
| 2 | 0.51 | 3e8dA | 0.461 | 1.53 | 0.472 | 0.471 | 1.31 | G98 | complex2.pdb.gz | 349,350,351,354,355,356,369,371,390,394,404,418,420,421,422,423,471,473,483,484,630 |
| 3 | 0.49 | 3e87B | 0.470 | 1.58 | 0.467 | 0.481 | 1.10 | G95 | complex3.pdb.gz | 348,354,355,356,369,371,373,404,421,422,423,473,630 |
| 4 | 0.32 | 3c4xB | 0.502 | 3.47 | 0.305 | 0.553 | 0.86 | ATP | complex4.pdb.gz | 348,349,351,352,356,369,371,421,423,473 |
| 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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