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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 | 0.05 | 3si5B | 0.670 | 2.43 | 0.143 | 0.843 | 0.91 | III | complex1.pdb.gz | 6,10,13,23,26,29,30,41,42,45 |
| 2 | 0.03 | 1fchA | 0.762 | 1.16 | 0.084 | 0.831 | 0.90 | III | complex2.pdb.gz | 2,3,6,7,35,37 |
| 3 | 0.03 | 2pqnA | 0.770 | 1.36 | 0.083 | 0.868 | 0.63 | III | complex3.pdb.gz | 5,8,9,12,20,21,22,25,59 |
| 4 | 0.03 | 1ltx0 | 0.741 | 1.95 | 0.108 | 0.928 | 0.41 | III | complex4.pdb.gz | 8,11,12,14,15 |
| 5 | 0.02 | 3gz1B | 0.735 | 1.43 | 0.096 | 0.831 | 0.46 | III | complex5.pdb.gz | 25,28,58,62 |
| 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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