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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 | 0.51 | 2h92A | 0.909 | 1.37 | 0.332 | 0.959 | 1.47 | C5P | Download | 34,35,38,39,94,95,98,104,124,125,126,127,176,180,183 |
| 2 | 0.19 | 3akcA | 0.868 | 1.64 | 0.265 | 0.927 | 1.18 | ADP | Download | 13,14,15,16,17,151,152,155,202,203,204 |
| 3 | 0.10 | 1qf9A | 0.618 | 3.59 | 0.183 | 0.782 | 0.82 | UUU | Download | 12,13,14,15,16,17,18,34,35,38,39,94,99,124,125,151,176,202,204 |
| 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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