|
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 | 0.47 | 2eh8L | 0.806 | 0.83 | 0.760 | 0.833 | 0.98 | III | complex1.pdb.gz | 57,59,71,74,114,115 |
| 2 | 0.42 | 3fctC | 0.763 | 0.88 | 0.537 | 0.792 | 1.31 | MMP | complex2.pdb.gz | 59,61,74,80,114 |
| 3 | 0.39 | 1n4x0 | 0.812 | 0.93 | 0.752 | 0.842 | 1.56 | III | complex3.pdb.gz | 51,57,59,61,63,68,69,71,74,80,112,114 |
| 4 | 0.26 | 3qcvM | 0.811 | 0.79 | 0.790 | 0.833 | 0.87 | 18L | complex4.pdb.gz | 55,57,75 |
| 5 | 0.09 | 3ngbL | 0.692 | 1.68 | 0.505 | 0.742 | 1.44 | UUU | complex5.pdb.gz | 40,90,91,92,97 |
| 6 | 0.08 | 1pg76 | 0.760 | 0.91 | 0.484 | 0.792 | 1.07 | III | complex6.pdb.gz | 57,74,75,78 |
| 7 | 0.08 | 3npsC | 0.700 | 1.53 | 0.473 | 0.775 | 1.16 | NA | complex7.pdb.gz | 58,60,90,92,96 |
| 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. |
|