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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 | 0.02 | 3in6B | 0.516 | 3.56 | 0.124 | 0.760 | 0.46 | FMN | Download | 13,17,94 |
| 2 | 0.01 | 1y30A | 0.543 | 3.42 | 0.073 | 0.820 | 0.55 | FMN | Download | 10,12,13,14,15,22 |
| 3 | 0.01 | 1xxo0 | 0.515 | 3.27 | 0.073 | 0.800 | 0.42 | III | Download | 9,32,37,47,56,57,98 |
| 4 | 0.01 | 3hy8A | 0.514 | 3.47 | 0.059 | 0.830 | 0.42 | FMN | Download | 10,11,12,13,20,24 |
| 5 | 0.01 | 2ou5A | 0.527 | 3.67 | 0.035 | 0.810 | 0.59 | FMN | Download | 16,56,58 |
| 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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