|
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 | 0.05 | 3j0pB | 0.528 | 5.02 | 0.352 | 0.830 | 0.94 | RQA | complex1.pdb.gz | 89,90,91,92,93,98,99,100,101,102,103,104,105,119,122,123,124,125,127,128,131 |
| 2 | 0.05 | 3j0qB | 0.528 | 5.02 | 0.352 | 0.830 | 0.81 | RQA | complex2.pdb.gz | 83,84,93,126,127,128,129,130,131 |
| 3 | 0.01 | 1a9x1 | 0.434 | 4.93 | 0.042 | 0.668 | 0.53 | III | complex3.pdb.gz | 90,98,125,128,129 |
| 4 | 0.01 | 1a9x3 | 0.443 | 4.83 | 0.042 | 0.677 | 0.44 | III | complex4.pdb.gz | 122,125,126,129,130,134,135,136 |
| | 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. |
|