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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 | 0.30 | 3s8pA | 0.486 | 1.48 | 0.655 | 0.502 | 1.59 | SAM | complex1.pdb.gz | 32,114,116,117,120,121,160,161,179,180,181,182,183,217,222,229,230,231 |
| 2 | 0.01 | 2ckjD | 0.307 | 7.97 | 0.037 | 0.545 | 0.60 | FES | complex2.pdb.gz | 139,140,141,176,180 |
| 3 | 0.01 | 2ckjC | 0.383 | 7.16 | 0.063 | 0.619 | 0.64 | FES | complex3.pdb.gz | 140,141,175,176,178,180 |
| 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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