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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 | 0.03 | 2nq22 | 0.676 | 3.06 | 0.124 | 0.788 | 0.79 | III | Download | 31,35,175,176,181,182,184,185,187,188,190,191,192,194,195,196,198,252 |
| 2 | 0.01 | 3gjcB | 0.406 | 5.59 | 0.061 | 0.603 | 0.59 | BOG | Download | 34,245,250 |
| 3 | 0.01 | 2q72A | 0.384 | 6.44 | 0.056 | 0.637 | 0.66 | IXX | Download | 26,43,44,47,222 |
| 4 | 0.01 | 3gjdA | 0.382 | 6.46 | 0.059 | 0.637 | 0.55 | BOG | Download | 39,40,42,45 |
| 5 | 0.01 | 1siwA | 0.383 | 7.01 | 0.031 | 0.680 | 0.57 | SF4 | Download | 41,46,48,80,81,212 |
| 6 | 0.01 | 2jbsC | 0.396 | 5.79 | 0.066 | 0.597 | 0.54 | FMN | Download | 212,215,216 |
| 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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