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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 | 0.01 | 2ih8A | 0.424 | 5.00 | 0.032 | 0.750 | 0.54 | UUU | complex1.pdb.gz | 75,77,80,83 |
| 2 | 0.01 | 3iam3 | 0.428 | 5.40 | 0.045 | 0.770 | 0.71 | FES | complex2.pdb.gz | 36,37,38,39,40,48 |
| 3 | 0.01 | 2fug3 | 0.312 | 5.89 | 0.092 | 0.649 | 0.79 | FES | complex3.pdb.gz | 33,34,35,49,50,51,52 |
| 4 | 0.01 | 2ih9A | 0.419 | 5.16 | 0.054 | 0.757 | 0.56 | UUU | complex4.pdb.gz | 65,67,69,88,90 |
| 5 | 0.01 | 2fugU | 0.428 | 5.27 | 0.060 | 0.763 | 0.52 | SF4 | complex5.pdb.gz | 65,82,92 |
| 6 | 0.01 | 2fugU | 0.428 | 5.27 | 0.060 | 0.763 | 0.73 | FES | complex6.pdb.gz | 32,35,36,37,40,48 |
| 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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