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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 | 0.06 | 3huxT | 0.855 | 1.67 | 0.325 | 0.945 | 0.49 | MG | Download | 30,31,97 |
| 2 | 0.02 | 1y960 | 0.447 | 3.01 | 0.115 | 0.591 | 0.76 | III | Download | 29,30,50,55,56,57,58,59,60,65,67,71,75,76,77,78,79,80,81,82,84 |
| 3 | 0.01 | 1y1v9 | 0.264 | 5.11 | 0.057 | 0.465 | 0.40 | III | Download | 52,103,107,111,112 |
| 4 | 0.01 | 1i5o4 | 0.291 | 5.41 | 0.027 | 0.583 | 0.63 | III | Download | 59,60,83 |
| 5 | 0.01 | 1e3mB | 0.466 | 4.30 | 0.055 | 0.756 | 0.63 | QNA | Download | 59,61,65 |
| 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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