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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 | 3eubS | 0.112 | 3.87 | 0.025 | 0.134 | 0.66 | FES | complex1.pdb.gz | 312,332,333,334,339,340 |
| 2 | 0.01 | 1llzA | 0.369 | 7.43 | 0.027 | 0.654 | 0.55 | F3S | complex2.pdb.gz | 312,313,314,318,319,320,334 |
| 3 | 0.01 | 2ckjC | 0.341 | 7.75 | 0.040 | 0.625 | 0.53 | FES | complex3.pdb.gz | 321,322,323,334,339 |
| 4 | 0.01 | 2ckjA | 0.335 | 7.31 | 0.047 | 0.589 | 0.59 | FES | complex4.pdb.gz | 380,381,408 |
| 5 | 0.01 | 1wygA | 0.354 | 7.57 | 0.050 | 0.633 | 0.51 | FES | complex5.pdb.gz | 380,381,392,393,394 |
| 6 | 0.01 | 2ckjD | 0.326 | 7.85 | 0.033 | 0.601 | 0.57 | FES | complex6.pdb.gz | 382,389,390,391,392 |
| 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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