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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 | 0.90 | 1ez4B | 0.971 | 1.05 | 0.472 | 0.994 | 1.63 | NAD | Download | 13,14,15,16,37,38,39,81,82,83,102,122,123,124,126,147,151,179,236 |
| 2 | 0.54 | 1v6aA | 0.919 | 2.10 | 0.315 | 0.984 | 1.22 | TRE | Download | 13,14,82,83,85 |
| 3 | 0.07 | 2frm0 | 0.944 | 1.44 | 0.321 | 0.981 | 1.38 | III | Download | 18,19,22,23,26,27,41,42,44,45,46,48,49,50,52,53,57,58,59,61,154,155,157,167,168,169,224,225,228,229,232,233,234,235,236,238,239,242 |
| 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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