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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 | 0.09 | 1nuiB | 0.491 | 2.30 | 0.235 | 0.561 | 1.05 | MG | Download | 11,59,61 |
| 2 | 0.09 | 3ksaC | 0.543 | 3.05 | 0.130 | 0.672 | 1.45 | QNA | Download | 11,12,13,14,34,59 |
| 3 | 0.04 | 3ksbC | 0.543 | 3.04 | 0.130 | 0.672 | 1.18 | QNA | Download | 11,13,14,34,35,63 |
| 4 | 0.04 | 2p2nD | 0.538 | 4.49 | 0.097 | 0.839 | 0.80 | ASP | Download | 12,34,35,66 |
| 5 | 0.03 | 3k9fC | 0.534 | 3.14 | 0.137 | 0.672 | 0.92 | QNA | Download | 11,34,35,64 |
| 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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