|
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 | 0.28 | 1pkp0 | 0.519 | 1.73 | 0.600 | 0.543 | 1.54 | III | Download | 49,50,51,52,53,92,94,97,101,146,149,153 |
| 2 | 0.07 | 2xfzE | 0.570 | 1.33 | 0.520 | 0.591 | 0.67 | RQA | Download | 73,75,85 |
| 3 | 0.06 | 3izwI | 0.540 | 3.18 | 0.451 | 0.630 | 0.69 | RQA | Download | 73,75,82,84 |
| 4 | 0.01 | 1kb93 | 0.136 | 4.58 | 0.069 | 0.193 | 0.56 | III | Download | 82,114,119,120,123,124,125,126,128 |
| 5 | 0.01 | 3ftwA | 0.397 | 6.41 | 0.028 | 0.705 | 0.51 | ACT | Download | 129,175,176,179 |
| 6 | 0.01 | 3fueA | 0.395 | 6.41 | 0.028 | 0.705 | 0.54 | 11S | Download | 146,163,165 |
| 7 | 0.01 | 2j019 | 0.122 | 5.42 | 0.062 | 0.197 | 0.72 | III | Download | 75,76,77,78,81 |
| 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. |
|