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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 | 0.01 | 2w68B | 0.104 | 4.80 | 0.032 | 0.121 | 0.17 | UUU | complex1.pdb.gz | 410,525,526 |
| 2 | 0.01 | 1w6s0 | 0.280 | 4.87 | 0.061 | 0.325 | 0.17 | III | complex2.pdb.gz | 18,21,22,25,27,29,31,33,479,583,744 |
| 3 | 0.01 | 1lrw0 | 0.282 | 4.86 | 0.051 | 0.326 | 0.18 | III | complex3.pdb.gz | 27,29,451,490,492,507,509,510,511,512 |
| 4 | 0.01 | 2uvaG | 0.283 | 9.00 | 0.046 | 0.426 | 0.12 | FMN | complex4.pdb.gz | 410,420,425,450 |
| 5 | 0.01 | 1flg0 | 0.280 | 4.79 | 0.078 | 0.323 | 0.23 | III | complex5.pdb.gz | 509,510,511 |
| 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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