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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 | 2x6yA | 0.423 | 4.50 | 0.060 | 0.485 | 0.50 | UUU | complex1.pdb.gz | 411,412,415,434,440,483,508 |
| 2 | 0.01 | 1tywA | 0.393 | 4.78 | 0.093 | 0.455 | 0.63 | UUU | complex2.pdb.gz | 367,386,387,390,392,411,416,437,439,460 |
| 3 | 0.01 | 3rizA | 0.318 | 7.41 | 0.048 | 0.452 | 0.45 | UUU | complex3.pdb.gz | 401,412,435,458 |
| 4 | 0.01 | 2gl7D | 0.281 | 6.71 | 0.060 | 0.375 | 0.46 | III | complex4.pdb.gz | 413,427,454 |
| 5 | 0.01 | 3a79B | 0.312 | 6.63 | 0.055 | 0.420 | 0.87 | UUU | complex5.pdb.gz | 406,429,451,453 |
| 6 | 0.01 | 2x6wA | 0.423 | 4.50 | 0.060 | 0.485 | 0.41 | UUU | complex6.pdb.gz | 387,433,434,437,456,458,460,462,483,506 |
| 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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