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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 | 0.15 | 1y5vA | 0.801 | 1.90 | 0.219 | 0.848 | 0.56 | NE8 | complex1.pdb.gz | 145,147,192,194,250,252,253 |
| 2 | 0.15 | 3gc4A | 0.790 | 1.74 | 0.223 | 0.831 | 0.56 | AAQ | complex2.pdb.gz | 192,194,220,221,222,223,252,253,272 |
| 3 | 0.05 | 2ash0 | 0.802 | 2.02 | 0.256 | 0.853 | 0.91 | III | complex3.pdb.gz | 39,40,41,43,44,45,46,47,48,52,78,84,85,341,342,344,354,359,360,362,363,366,370,372,373,374,377 |
| 4 | 0.05 | 1q2sA | 0.817 | 1.96 | 0.219 | 0.868 | 0.80 | RQA | complex4.pdb.gz | 36,38,43,192,220,221,222,223,252,253,255,256,259,272,273,274,275,277,278,281,282,284,373 |
| 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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