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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 | 0.61 | 2jatA | 0.869 | 1.19 | 0.363 | 0.896 | 1.57 | POP | Download | 8,10,11,12,13,14,15,152 |
| 2 | 0.27 | 1p5zB | 0.850 | 1.99 | 0.189 | 0.948 | 1.17 | ADP | Download | 10,11,12,13,14,15,83,148,151,152,190,192,193 |
| 3 | 0.24 | 2jasA | 0.904 | 0.60 | 0.361 | 0.915 | 1.42 | DTP | Download | 9,10,11,12,13,14,33,41,44,45,59,60,63,67,83,84,89,92,157 |
| 4 | 0.10 | 3qenB | 0.844 | 2.05 | 0.184 | 0.948 | 0.97 | 5BT | Download | 9,33,41,44,45,59,60,67,89,92,160,164 |
| 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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