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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 | 1y42X | 0.424 | 4.93 | 0.055 | 0.808 | 0.25 | TYR | complex1.pdb.gz | 2,3,13,16,39 |
| 2 | 0.01 | 3ar9A | 0.429 | 4.77 | 0.028 | 0.742 | 0.22 | TM1 | complex2.pdb.gz | 10,13,71,72,73 |
| 3 | 0.01 | 2o9jA | 0.411 | 4.55 | 0.028 | 0.725 | 0.17 | CZA | complex3.pdb.gz | 16,20,43 |
| 4 | 0.01 | 2zbeA | 0.429 | 4.85 | 0.019 | 0.750 | 0.23 | BEF | complex4.pdb.gz | 16,17,18,74 |
| 5 | 0.01 | 2eauA | 0.420 | 4.82 | 0.019 | 0.733 | 0.17 | CZA | complex5.pdb.gz | 36,72,73 |
| 6 | 0.01 | 2easA | 0.437 | 4.85 | 0.019 | 0.758 | 0.21 | CZA | complex6.pdb.gz | 2,36,72,73,74 |
| 7 | 0.01 | 1y420 | 0.424 | 4.93 | 0.055 | 0.808 | 0.19 | III | complex7.pdb.gz | 15,16,55,56,60,63,64,65 |
| 8 | 0.01 | 3ar3A | 0.420 | 4.70 | 0.019 | 0.725 | 0.18 | ADP | complex8.pdb.gz | 14,17,70 |
| 9 | 0.01 | 2agvA | 0.419 | 4.61 | 0.019 | 0.725 | 0.33 | BHQ | complex9.pdb.gz | 38,39,43 |
| 10 | 0.01 | 3ar8A | 0.414 | 4.80 | 0.019 | 0.725 | 0.10 | TM1 | complex10.pdb.gz | 40,70,119 |
| 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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