|
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 | 3ietA | 0.321 | 4.75 | 0.086 | 0.683 | 0.52 | III | complex1.pdb.gz | 49,51,64,81 |
| 2 | 0.01 | 1ehlL | 0.369 | 4.03 | 0.065 | 0.707 | 0.66 | QNA | complex2.pdb.gz | 37,39,66 |
| 3 | 0.01 | 2dqtH | 0.386 | 4.09 | 0.047 | 0.744 | 0.45 | CPD | complex3.pdb.gz | 51,53,65,67,73,77,79 |
| 4 | 0.01 | 1wcbL | 0.359 | 4.04 | 0.102 | 0.695 | 0.40 | PE1 | complex4.pdb.gz | 33,35,53 |
| 5 | 0.01 | 1ub5L | 0.358 | 4.02 | 0.081 | 0.707 | 0.47 | SPB | complex5.pdb.gz | 53,65,66,67 |
| 6 | 0.01 | 1n332 | 0.261 | 3.83 | 0.093 | 0.463 | 0.47 | III | complex6.pdb.gz | 64,65,67,68 |
| 7 | 0.01 | 1q72H | 0.375 | 4.09 | 0.079 | 0.744 | 0.41 | COC | complex7.pdb.gz | 32,34,73 |
| 8 | 0.01 | 1mreL | 0.361 | 4.10 | 0.083 | 0.707 | 0.44 | GDP | complex8.pdb.gz | 37,39,61,77 |
| 9 | 0.01 | 1vpoH | 0.399 | 3.63 | 0.032 | 0.732 | 0.41 | TES | complex9.pdb.gz | 37,50,65,76 |
| 10 | 0.01 | 1wcbA | 0.357 | 4.05 | 0.119 | 0.695 | 0.49 | PE1 | complex10.pdb.gz | 70,71,73 |
| 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. |
|