|
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 | 0.92 | 2hg8B | 0.888 | 1.13 | 0.970 | 0.903 | 1.55 | MLE | complex1.pdb.gz | 102,170,229,267 |
| 2 | 0.91 | 1ekvA | 0.889 | 1.30 | 0.973 | 0.908 | 1.89 | UUU | complex2.pdb.gz | 102,126,168,219,229,234,264,266,267,268,269,293,295,296,297,339,340 |
| 3 | 0.90 | 2hdkB | 0.886 | 1.18 | 0.967 | 0.903 | 0.90 | COI | complex3.pdb.gz | 170,267,339,340,341 |
| 4 | 0.45 | 2abjD | 0.871 | 1.28 | 0.581 | 0.890 | 1.52 | CBC | complex4.pdb.gz | 57,102,168,229,251,267,268,339,341,342 |
| 5 | 0.07 | 3ht50 | 0.786 | 1.76 | 0.368 | 0.816 | 1.47 | III | complex5.pdb.gz | 65,83,84,85,86,87,88,89,90,91,94,95,96,97,98,99,100,102,132,133,134,170,172,180,182,183,216,217,218,221,222,223,224,225,230,231,232,235,236,238,239,241 |
| 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. |
|