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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 | 0.24 | 1b76B | 0.854 | 2.08 | 0.443 | 0.897 | 0.92 | ATP | Download | 210,211,212,215,217,327,329,332 |
| 2 | 0.11 | 1nj80 | 0.733 | 2.67 | 0.177 | 0.805 | 0.86 | III | Download | 18,20,21,23,31,32,33,34,35,36,39,43,61,62,63,64,65,66,67,69,148,149,150,151,152,163,165,172,175,197,199,201,214,216 |
| 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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