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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 | 1t36A | 0.412 | 6.93 | 0.039 | 0.668 | 0.19 | U | complex1.pdb.gz | 170,171,230,252 |
| 2 | 0.01 | 1a9x3 | 0.417 | 7.37 | 0.057 | 0.715 | 0.23 | III | complex2.pdb.gz | 165,169,170,171,172,175 |
| 3 | 0.01 | 1ce8E | 0.418 | 7.33 | 0.052 | 0.717 | 0.19 | IMP | complex3.pdb.gz | 171,250,251,253 |
| 4 | 0.01 | 1ofdA | 0.405 | 6.96 | 0.042 | 0.657 | 0.11 | FMN | complex4.pdb.gz | 119,251,287 |
| 5 | 0.01 | 1a9x0 | 0.407 | 6.99 | 0.038 | 0.661 | 0.14 | III | complex5.pdb.gz | 171,172,200 |
| 6 | 0.01 | 1llzA | 0.383 | 7.36 | 0.032 | 0.645 | 0.12 | FMN | complex6.pdb.gz | 130,377,381,382,383,384 |
| 7 | 0.01 | 1c30A | 0.407 | 7.84 | 0.051 | 0.733 | 0.17 | ORN | complex7.pdb.gz | 170,171,173 |
| 8 | 0.01 | 3c67A | 0.356 | 7.37 | 0.023 | 0.615 | 0.13 | GLC | complex8.pdb.gz | 205,206,208 |
| 9 | 0.01 | 3q43A | 0.392 | 7.17 | 0.031 | 0.647 | 0.12 | D66 | complex9.pdb.gz | 159,169,170,171,176,177,178 |
| 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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