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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 | 3ho8A | 0.289 | 8.46 | 0.049 | 0.476 | 0.15 | COA | complex1.pdb.gz | 331,356,357,379 |
| 2 | 0.01 | 3tw6C | 0.283 | 8.49 | 0.018 | 0.473 | 0.17 | ADP | complex2.pdb.gz | 329,330,331,332,337 |
| 3 | 0.01 | 3ho8C | 0.314 | 8.17 | 0.044 | 0.504 | 0.12 | COA | complex3.pdb.gz | 331,351,352,476,477 |
| 4 | 0.01 | 3ho8B | 0.317 | 8.37 | 0.039 | 0.511 | 0.17 | COA | complex4.pdb.gz | 342,355,356,357,358 |
| 5 | 0.01 | 3tw6A | 0.285 | 8.52 | 0.034 | 0.478 | 0.23 | COA | complex5.pdb.gz | 352,354,355,356,357 |
| 6 | 0.01 | 2qf7B | 0.314 | 8.53 | 0.031 | 0.527 | 0.16 | SAP | complex6.pdb.gz | 329,330,332,338,347 |
| | 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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