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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 | 2ckjC | 0.373 | 6.31 | 0.037 | 0.697 | 0.52 | FES | complex1.pdb.gz | 60,61,63 |
| 2 | 0.01 | 3eubS | 0.253 | 5.17 | 0.042 | 0.404 | 0.69 | FES | complex2.pdb.gz | 59,61,62,64,65,67 |
| 3 | 0.01 | 2ckjC | 0.373 | 6.31 | 0.037 | 0.697 | 0.54 | FES | complex3.pdb.gz | 61,62,64,66,67,82,84 |
| 4 | 0.01 | 2ckjA | 0.479 | 5.49 | 0.035 | 0.803 | 0.51 | FES | complex4.pdb.gz | 62,104,105,108 |
| 5 | 0.01 | 1fiqA | 0.250 | 4.85 | 0.050 | 0.380 | 0.55 | FAD | complex5.pdb.gz | 65,66,84 |
| 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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