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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 | 0.04 | 1h2rL | 0.646 | 3.09 | 0.075 | 0.894 | 0.43 | NFE | Download | 26,32,33,48,72,75 |
| 2 | 0.04 | 1h2aL | 0.644 | 3.09 | 0.075 | 0.894 | 0.43 | NFE | Download | 26,32,34,49,50,72,75 |
| 3 | 0.03 | 3s8gA | 0.586 | 2.93 | 0.039 | 0.787 | 0.77 | OLC | Download | 35,72,73,74 |
| 4 | 0.02 | 2w6dB | 0.630 | 3.36 | 0.043 | 0.915 | 0.80 | CPL | Download | 34,35,71,72,74 |
| 5 | 0.01 | 2w6dA | 0.630 | 3.36 | 0.043 | 0.915 | 0.63 | GDP | Download | 32,33,35,36,69 |
| 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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