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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 | 1tiwA | 0.466 | 6.08 | 0.042 | 0.802 | 0.24 | TFB | complex1.pdb.gz | 103,106,107 |
| 2 | 0.01 | 3zq9A | 0.438 | 6.56 | 0.038 | 0.798 | 0.17 | UUU | complex2.pdb.gz | 124,125,143,164,165 |
| 3 | 0.01 | 1k02A | 0.483 | 5.61 | 0.041 | 0.790 | 0.14 | FMN | complex3.pdb.gz | 221,222,243 |
| 4 | 0.01 | 3bdkA | 0.472 | 5.50 | 0.047 | 0.751 | 0.37 | MN | complex4.pdb.gz | 70,123,165,166 |
| 5 | 0.01 | 1fbwA | 0.481 | 6.17 | 0.048 | 0.846 | 0.12 | GLC | complex5.pdb.gz | 163,222,223,224 |
| 6 | 0.01 | 1oybA | 0.479 | 5.69 | 0.045 | 0.794 | 0.13 | FMN | complex6.pdb.gz | 20,52,55,165 |
| 7 | 0.01 | 2hs6A | 0.474 | 5.60 | 0.083 | 0.767 | 0.13 | FMN | complex7.pdb.gz | 104,125,126,174 |
| 8 | 0.01 | 2yjqB | 0.464 | 5.88 | 0.057 | 0.787 | 0.22 | UUU | complex8.pdb.gz | 54,55,168 |
| 9 | 0.01 | 1bwlA | 0.449 | 6.03 | 0.044 | 0.759 | 0.16 | FMN | complex9.pdb.gz | 54,56,57,166,167,168 |
| 10 | 0.01 | 3qdeA | 0.468 | 6.05 | 0.036 | 0.798 | 0.19 | UUU | complex10.pdb.gz | 99,103,105,127,139 |
| 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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