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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 | 0.08 | 2nxn1 | 0.824 | 1.89 | 0.410 | 0.944 | 1.35 | III | Download | 10,11,12,14,17,21,22,23,32,36,37,39,40,41,43,44,70,72,76,86,130,131 |
| 2 | 0.01 | 3aq0B | 0.482 | 4.49 | 0.079 | 0.789 | 0.68 | PPV | Download | 76,77,83,132 |
| 3 | 0.01 | 3m6gA | 0.360 | 5.62 | 0.062 | 0.711 | 0.60 | LO3 | Download | 125,128,129,132 |
| 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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