|
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 | 3owaB | 0.609 | 3.45 | 0.101 | 0.880 | 0.52 | FAD | Download | 11,25,31,78,79 |
| 2 | 0.02 | 1u8vC | 0.583 | 3.71 | 0.056 | 0.935 | 0.50 | FAD | Download | 27,30,81,82,84 |
| 3 | 0.01 | 1kqgC | 0.593 | 3.32 | 0.056 | 0.880 | 0.58 | HQO | Download | 1,22,25 |
| 4 | 0.01 | 1kqgC | 0.593 | 3.32 | 0.056 | 0.880 | 0.46 | HEM | Download | 13,16,17,28,31,32,35,38,39,78,82,86 |
| 5 | 0.01 | 3naeA | 0.582 | 2.92 | 0.033 | 0.793 | 0.68 | CA | Download | 25,28,31 |
| 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. |
|