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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 | 0.15 | 2c3eA | 0.692 | 2.00 | 0.191 | 0.738 | 1.26 | CDL | complex1.pdb.gz | 74,77,81,120,121,122,124,127,131,132,199,200,201,202 |
| 2 | 0.08 | 2c3eA | 0.692 | 2.00 | 0.191 | 0.738 | 1.42 | CDL | complex2.pdb.gz | 93,102,103,104,279,312,313,314,315,316,317 |
| 3 | 0.01 | 2ckjC | 0.293 | 6.83 | 0.032 | 0.497 | 0.85 | FES | complex3.pdb.gz | 121,122,123,125,188,189,190,191 |
| 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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