|
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 | 1ivl0 | 0.648 | 1.71 | 0.227 | 0.743 | 0.78 | III | complex1.pdb.gz | 27,30,62,64,84,86,92,94,95 |
| 2 | 0.04 | 1dlf0 | 0.653 | 2.17 | 0.228 | 0.782 | 0.40 | III | complex2.pdb.gz | 59,66,86,93,95 |
| 3 | 0.04 | 1tzgL | 0.655 | 1.76 | 0.250 | 0.752 | 0.49 | III | complex3.pdb.gz | 63,64,82,84 |
| 4 | 0.04 | 1aj7L | 0.659 | 1.58 | 0.187 | 0.743 | 0.61 | NPE | complex4.pdb.gz | 81,83,94,96,98 |
| 5 | 0.04 | 1n0xM | 0.652 | 1.85 | 0.237 | 0.752 | 0.46 | III | complex5.pdb.gz | 38,40,41 |
| 6 | 0.03 | 2hrlA | 0.629 | 1.96 | 0.169 | 0.762 | 0.43 | UUU | complex6.pdb.gz | 62,84,86,92,93,94 |
| 7 | 0.03 | 2oqjA | 0.637 | 1.77 | 0.162 | 0.733 | 0.46 | III | complex7.pdb.gz | 82,83,96,97 |
| 8 | 0.03 | 3lafA | 0.663 | 2.47 | 0.105 | 0.812 | 0.56 | UUU | complex8.pdb.gz | 61,63,82 |
| 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. |
|