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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 | 0.46 | 2aex0 | 0.717 | 1.59 | 0.991 | 0.736 | 1.62 | III | complex1.pdb.gz | 193,195,202,327,393,394,396,397,398,399,418,421,422,423,424,425,426,427 |
| 2 | 0.08 | 3dwrA | 0.606 | 1.65 | 0.476 | 0.630 | 1.25 | 0PA | complex2.pdb.gz | 181,183,206,208,412,413,417 |
| 3 | 0.08 | 3dwrB | 0.585 | 1.57 | 0.484 | 0.606 | 0.86 | 0PA | complex3.pdb.gz | 208,240,241,242,244,260 |
| 4 | 0.07 | 3dwrA | 0.606 | 1.65 | 0.476 | 0.630 | 0.65 | 0PA | complex4.pdb.gz | 191,193,205,206,207,208,242 |
| 5 | 0.01 | 1o94B | 0.376 | 7.37 | 0.043 | 0.628 | 0.68 | SF4 | complex5.pdb.gz | 167,199,203,204,247,248 |
| 6 | 0.01 | 1ea0A | 0.299 | 7.38 | 0.036 | 0.500 | 0.63 | F3S | complex6.pdb.gz | 200,201,202,203,204,247 |
| 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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