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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 | 0.27 | 2fep2 | 0.933 | 0.73 | 0.407 | 0.966 | 1.45 | III | Download | 15,16,17,20,24,47,48,51,52,54 |
| 2 | 0.02 | 1zaxA | 0.567 | 2.46 | 0.094 | 0.764 | 0.50 | III | Download | 19,22,23 |
| 3 | 0.02 | 1s1sB | 0.569 | 3.29 | 0.072 | 0.910 | 0.47 | WAC | Download | 2,36,37,40,41,42 |
| 4 | 0.02 | 1zavA | 0.568 | 2.49 | 0.094 | 0.764 | 0.46 | III | Download | 47,50,51,55,59 |
| 5 | 0.02 | 1zawA | 0.567 | 2.50 | 0.094 | 0.764 | 0.46 | III | Download | 43,44,66 |
| 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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