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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 | 0.80 | 2cfrA | 0.822 | 2.27 | 0.469 | 0.888 | 1.54 | MG | complex1.pdb.gz | 34,36,260 |
| 2 | 0.59 | 2p69A | 0.823 | 2.13 | 0.469 | 0.885 | 1.36 | PLP | complex2.pdb.gz | 34,35,36,67,68,69,172,201,204,235 |
| 3 | 0.08 | 2oyc0 | 0.818 | 2.12 | 0.463 | 0.878 | 0.86 | III | complex3.pdb.gz | 172,173,202,203,209,211,212,213,216 |
| 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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