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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 | 0.02 | 3ir5C | 0.486 | 3.81 | 0.129 | 0.868 | 0.54 | AGA | Download | 14,18,21,51 |
| 2 | 0.01 | 2j9tA | 0.447 | 3.63 | 0.071 | 0.763 | 0.77 | BO3 | Download | 17,18,21,50,51 |
| 3 | 0.01 | 2ix5C | 0.535 | 3.32 | 0.014 | 0.816 | 0.40 | FAD | Download | 21,49,50,52 |
| 4 | 0.01 | 1azs1 | 0.371 | 3.95 | 0.077 | 0.618 | 0.42 | III | Download | 15,16,18,22,26 |
| 5 | 0.01 | 2ibfA | 0.472 | 3.67 | 0.042 | 0.763 | 0.41 | III | Download | 8,9,11,12,15,16,19,22,23,65 |
| 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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