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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 | 0.48 | 2d69B | 0.757 | 2.83 | 0.119 | 0.881 | 0.97 | SO4 | Download | 175,176,194 |
| 2 | 0.20 | 2d69E | 0.758 | 2.83 | 0.119 | 0.881 | 0.82 | SO4 | Download | 7,176,193,195,196 |
| 3 | 0.17 | 1rscA | 0.756 | 2.91 | 0.089 | 0.894 | 0.86 | XBP | Download | 121,122,146,175,176,177,196 |
| 4 | 0.07 | 1x7i0 | 0.963 | 1.17 | 0.274 | 0.996 | 1.32 | III | Download | 10,11,29,30,31,32,35,36,38,40,41,43,60,62,63,65,67,69,73,76,77,80,96,97,98,99,125,126,127,128,203,204 |
| 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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