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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 | 0.34 | 2zkrf | 0.389 | 2.41 | 0.798 | 0.425 | 1.43 | QNA | complex1.pdb.gz | 184,185,186,189 |
| 2 | 0.32 | 1rlgA | 0.398 | 1.66 | 0.366 | 0.421 | 1.36 | UUU | complex2.pdb.gz | 138,139,140,141,142,145,161,162,166,187,195,196,197,198,199,200 |
| 3 | 0.04 | 2hvy1 | 0.417 | 2.03 | 0.267 | 0.451 | 1.18 | III | complex3.pdb.gz | 144,145,148,162,163,164,165,168,169,172,173,176 |
| | 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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