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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 | 0.02 | 2hi7B | 0.432 | 3.07 | 0.108 | 0.540 | 0.61 | UQ1 | complex1.pdb.gz | 102,103,106,107,150,159,164 |
| 2 | 0.01 | 3qbgB | 0.494 | 3.11 | 0.073 | 0.624 | 0.66 | 22B | complex2.pdb.gz | 21,25,28,41 |
| 3 | 0.01 | 3qbkA | 0.495 | 3.01 | 0.073 | 0.619 | 0.58 | 22B | complex3.pdb.gz | 29,44,49 |
| 4 | 0.01 | 3qblA | 0.492 | 3.25 | 0.073 | 0.624 | 0.56 | 22B | complex4.pdb.gz | 21,28,33 |
| 5 | 0.01 | 3qbgA | 0.494 | 3.12 | 0.073 | 0.624 | 0.50 | 22B | complex5.pdb.gz | 16,20,24 |
| 6 | 0.01 | 2legB | 0.420 | 3.04 | 0.067 | 0.540 | 0.53 | UQ1 | complex6.pdb.gz | 105,106,109,160,164 |
| 7 | 0.01 | 3e9jC | 0.417 | 3.29 | 0.069 | 0.529 | 0.55 | UQ1 | complex7.pdb.gz | 100,103,106,107,149,161,165 |
| 8 | 0.01 | 3l39A | 0.485 | 3.55 | 0.036 | 0.656 | 0.60 | PO4 | complex8.pdb.gz | 24,27,29 |
| 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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