|
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 | 0.04 | 1stf1 | 0.482 | 2.44 | 0.241 | 0.582 | 0.94 | III | complex1.pdb.gz | 37,38,39,81,82,83,84,87,130,131,132 |
| 2 | 0.01 | 2y73A | 0.486 | 4.42 | 0.050 | 0.747 | 0.60 | IMD | complex2.pdb.gz | 38,39,80,82 |
| 3 | 0.01 | 2y74B | 0.483 | 4.59 | 0.041 | 0.760 | 0.43 | IMD | complex3.pdb.gz | 39,80,82 |
| 4 | 0.01 | 1krl0 | 0.243 | 2.19 | 0.143 | 0.274 | 0.65 | III | complex4.pdb.gz | 37,38,39,40,41,42,43,44,76,78,80,86,88,90,91,92 |
| 5 | 0.01 | 3rbhC | 0.477 | 4.96 | 0.046 | 0.808 | 0.41 | CA | complex5.pdb.gz | 39,41,78 |
| 6 | 0.01 | 3hi7A | 0.483 | 4.09 | 0.048 | 0.719 | 0.49 | UUU | complex6.pdb.gz | 80,83,87,89 |
| 7 | 0.01 | 2c11B | 0.483 | 4.56 | 0.042 | 0.767 | 0.44 | CA | complex7.pdb.gz | 85,87,89 |
| 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. |
|