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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 | 0.41 | 2fadA | 0.465 | 1.23 | 0.403 | 0.494 | 1.19 | PM5 | complex1.pdb.gz | 104,112,115,118,119,122,123,128,130,135,136,138 |
| 2 | 0.24 | 2koqA | 0.468 | 1.67 | 0.296 | 0.519 | 0.87 | SHW | complex2.pdb.gz | 86,104,105,112,115,118,119,137,139,140,142 |
| 3 | 0.04 | 2fvaA | 0.420 | 2.26 | 0.234 | 0.487 | 0.93 | UUU | complex3.pdb.gz | 90,114,115,117,118,122,130,138,144,147,148 |
| 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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