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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 | 2ckjB | 0.382 | 6.73 | 0.047 | 0.655 | 0.60 | FES | complex1.pdb.gz | 245,247,249,251,290 |
| 2 | 0.01 | 2ckjA | 0.363 | 6.85 | 0.029 | 0.629 | 0.65 | FES | complex2.pdb.gz | 251,252,253,257,258,283 |
| 3 | 0.01 | 2ckjA | 0.363 | 6.85 | 0.029 | 0.629 | 0.76 | FES | complex3.pdb.gz | 281,282,283,288,330,331,332,333 |
| 4 | 0.01 | 3rkoL | 0.406 | 5.56 | 0.084 | 0.609 | 0.66 | LFA | complex4.pdb.gz | 251,254,255 |
| 5 | 0.01 | 2o01B | 0.406 | 5.71 | 0.043 | 0.612 | 0.72 | PQN | complex5.pdb.gz | 246,247,250,251,289 |
| 6 | 0.01 | 1fiqA | 0.200 | 5.09 | 0.060 | 0.281 | 0.62 | FES | complex6.pdb.gz | 252,253,255,284,285,286 |
| 7 | 0.01 | 2ckjD | 0.371 | 6.86 | 0.054 | 0.649 | 0.61 | FES | complex7.pdb.gz | 252,253,254,256,258,283 |
| 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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