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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 | 0.16 | 1i5lE | 0.724 | 1.29 | 0.268 | 0.780 | 1.22 | RQA | complex1.pdb.gz | 45,46,47,48,75,77 |
| 2 | 0.11 | 1m8vH | 0.721 | 1.43 | 0.239 | 0.780 | 1.44 | RQA | complex2.pdb.gz | 13,16,19,42,43,44 |
| 3 | 0.11 | 1m8vI | 0.724 | 1.39 | 0.239 | 0.780 | 1.14 | RQA | complex3.pdb.gz | 15,16,20,41,42 |
| 4 | 0.05 | 1lnxG | 0.724 | 1.42 | 0.247 | 0.791 | 1.14 | URI | complex4.pdb.gz | 14,15,18,43,44,45,47 |
| 5 | 0.05 | 1b340 | 0.705 | 1.54 | 0.211 | 0.791 | 1.15 | III | complex5.pdb.gz | 14,18,29,31,35,47,76,77,79,80,81,82,83,84,85 |
| 6 | 0.05 | 1b341 | 0.676 | 1.53 | 0.211 | 0.747 | 1.23 | III | complex6.pdb.gz | 34,41,42,43,44,48,49,52,56,66,69,70,72,73,74,75,77 |
| 7 | 0.03 | 3gibB | 0.590 | 1.81 | 0.159 | 0.670 | 1.13 | QNA | complex7.pdb.gz | 29,30,33,34,35,36,37,53,72,80,81,83 |
| 8 | 0.03 | 3rerF | 0.580 | 1.35 | 0.169 | 0.637 | 0.93 | RQA | complex8.pdb.gz | 18,42,43,76 |
| 9 | 0.03 | 1y960 | 0.587 | 2.50 | 0.133 | 0.714 | 0.84 | III | complex9.pdb.gz | 18,19,22,23,32,34,36,41,42,43,44,45,48,50,70,71,72,73,74,75,77 |
| 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. |
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