|
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 | 0.07 | 1ridA | 0.642 | 2.10 | 0.400 | 0.923 | 1.64 | UUU | complex1.pdb.gz | 35,36,37,38,39,40,41,65 |
| 2 | 0.07 | 1cklD | 0.764 | 1.51 | 0.333 | 0.923 | 0.57 | UUU | complex2.pdb.gz | 12,39,40,41 |
| 3 | 0.05 | 1h030 | 0.772 | 1.52 | 0.279 | 0.939 | 0.84 | III | complex3.pdb.gz | 41,43,44,53,55,56,57,59,64 |
| 4 | 0.01 | 3qdtA | 0.482 | 3.15 | 0.068 | 0.908 | 0.41 | UUU | complex4.pdb.gz | 29,51,52,53,58 |
| 5 | 0.01 | 2ofdB | 0.526 | 2.90 | 0.051 | 0.908 | 0.41 | NGA | complex5.pdb.gz | 13,40,61 |
| 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. |
|