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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 | 0.82 | 7odcA | 0.818 | 1.78 | 0.555 | 0.844 | 1.49 | PLP | complex1.pdb.gz | 67,69,154,197,236,237,271,273,274,387 |
| 2 | 0.49 | 2nvaA | 0.801 | 1.41 | 0.314 | 0.824 | 1.30 | PL2 | complex2.pdb.gz | 67,88,111,197,200,201,236,237,271,273,274,326,329,330,387 |
| 3 | 0.31 | 2on30 | 0.825 | 1.64 | 0.549 | 0.848 | 1.53 | III | complex3.pdb.gz | 69,90,91,93,94,112,114,116,118,121,134,135,137,141,169,170,288,289,291,315,317,320,321,325,328,329,331,354,355,357,358,359,361,362,375,387,390,391,392,393,395,396,397,398,399 |
| 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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