|
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 | 0.12 | 3ek4A | 0.427 | 4.50 | 0.250 | 0.675 | 1.68 | CA | complex1.pdb.gz | 97,99,101,103,104,105,108 |
| 2 | 0.10 | 1m46A | 0.524 | 3.90 | 0.235 | 0.715 | 1.05 | III | complex2.pdb.gz | 89,92,113,117,118,119,120,124,127 |
| 3 | 0.08 | 2qacA | 0.532 | 4.13 | 0.200 | 0.828 | 0.83 | III | complex3.pdb.gz | 78,82,89,92,113,117,118,119,120,124,127,144,147,148,149,150 |
| 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. |
|