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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 | 0.28 | 3d5cC | 0.862 | 0.93 | 0.432 | 0.884 | 1.63 | MG | Download | 153,176,178 |
| 2 | 0.10 | 3izwG | 0.797 | 2.60 | 0.451 | 0.914 | 0.93 | RQA | Download | 126,132,133,167 |
| 3 | 0.01 | 2ckjA | 0.416 | 5.19 | 0.037 | 0.644 | 0.64 | FES | Download | 158,160,161,162,164,165,198 |
| 4 | 0.01 | 2ckjB | 0.416 | 5.27 | 0.026 | 0.648 | 0.64 | FES | Download | 157,158,159,160,162,197,199 |
| 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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