|
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 | 3cmvG | 0.310 | 8.40 | 0.049 | 0.499 | 0.12 | ANP | complex1.pdb.gz | 449,450,451 |
| 2 | 0.01 | 3rj0A | 0.349 | 8.59 | 0.070 | 0.571 | 0.16 | BLD | complex2.pdb.gz | 458,460,462,472 |
| 3 | 0.01 | 3rizA | 0.341 | 8.76 | 0.043 | 0.568 | 0.11 | UUU | complex3.pdb.gz | 470,472,474 |
| 4 | 0.01 | 3rgzA | 0.359 | 8.43 | 0.060 | 0.584 | 0.14 | BLD | complex4.pdb.gz | 458,463,465,466 |
| 5 | 0.01 | 2ot8A | 0.356 | 8.41 | 0.038 | 0.571 | 0.15 | III | complex5.pdb.gz | 446,450,534,537 |
| 6 | 0.01 | 3cmvF | 0.249 | 8.78 | 0.038 | 0.415 | 0.10 | ANP | complex6.pdb.gz | 457,458,463 |
| 7 | 0.01 | 3rj0A | 0.349 | 8.59 | 0.070 | 0.571 | 0.18 | UUU | complex7.pdb.gz | 469,471,472,473 |
| 8 | 0.01 | 3cmvE | 0.306 | 8.37 | 0.059 | 0.490 | 0.10 | ANP | complex8.pdb.gz | 461,462,463,464,466 |
| 9 | 0.01 | 1f59A | 0.240 | 6.54 | 0.036 | 0.330 | 0.17 | III | complex9.pdb.gz | 460,461,463 |
| 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. |
|