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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 | 2np0A | 0.344 | 6.76 | 0.029 | 0.585 | 0.17 | III | complex1.pdb.gz | 68,74,77,79 |
| 2 | 0.01 | 3tw6C | 0.307 | 6.97 | 0.016 | 0.532 | 0.15 | COA | complex2.pdb.gz | 30,42,43 |
| 3 | 0.01 | 3tw6C | 0.307 | 6.97 | 0.016 | 0.532 | 0.31 | PAE | complex3.pdb.gz | 69,71,73 |
| 4 | 0.01 | 1i1eA | 0.335 | 6.77 | 0.045 | 0.574 | 0.26 | DM2 | complex4.pdb.gz | 29,30,52,74 |
| 5 | 0.01 | 3sucA | 0.326 | 7.00 | 0.019 | 0.566 | 0.33 | ATP | complex5.pdb.gz | 39,40,41,42,73 |
| 6 | 0.01 | 3gd1I | 0.158 | 6.58 | 0.017 | 0.256 | 0.28 | III | complex6.pdb.gz | 30,67,69,71 |
| 7 | 0.01 | 1c9iB | 0.167 | 7.02 | 0.038 | 0.295 | 0.30 | III | complex7.pdb.gz | 49,51,74,76 |
| 8 | 0.01 | 3tw6A | 0.322 | 7.21 | 0.027 | 0.577 | 0.20 | COA | complex8.pdb.gz | 30,36,37,38,39,67 |
| 9 | 0.01 | 2qf7A | 0.299 | 7.09 | 0.042 | 0.524 | 0.14 | COA | complex9.pdb.gz | 54,74,75 |
| 10 | 0.01 | 2xzhA | 0.174 | 6.87 | 0.026 | 0.290 | 0.27 | VH2 | complex10.pdb.gz | 69,71,76 |
| 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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