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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 | 0.14 | 3gjcA | 0.678 | 4.46 | 0.098 | 0.838 | 0.88 | NA | Download | 19,20,21,22,23,317,320 |
| 2 | 0.14 | 3l1lA | 0.713 | 2.71 | 0.127 | 0.779 | 0.99 | ARG | Download | 20,21,24,25,100,101,104,105,108,226,227,228,229,323 |
| 3 | 0.11 | 3f4jA | 0.691 | 4.51 | 0.095 | 0.856 | 0.90 | GLY | Download | 20,21,23,24,25,226,227,229,319 |
| 4 | 0.09 | 2a65A | 0.693 | 4.56 | 0.097 | 0.859 | 1.27 | NA | Download | 19,20,22,23,315,318,319 |
| 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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