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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 | 0.65 | 1nrwA | 0.850 | 2.44 | 0.243 | 0.943 | 1.49 | CA | Download | 11,13,229,230,233 |
| 2 | 0.61 | 1rltC | 0.844 | 2.23 | 0.199 | 0.935 | 1.42 | AF3 | Download | 11,12,13,45,46,206,232 |
| 3 | 0.27 | 3zx5B | 0.708 | 3.22 | 0.158 | 0.839 | 1.02 | UUU | Download | 11,12,13,45,46,47,51,160,192,193,194,196,198,206,232 |
| 4 | 0.26 | 1tj4A | 0.692 | 3.02 | 0.175 | 0.814 | 0.86 | SUC | Download | 13,46,47,72,191,232 |
| 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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