|
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 | 0.28 | 1q72H | 0.787 | 1.22 | 0.480 | 0.838 | 0.51 | COC | complex1.pdb.gz | 58,59,60,63 |
| 2 | 0.20 | 1vpoH | 0.789 | 1.03 | 0.536 | 0.829 | 0.74 | TES | complex2.pdb.gz | 54,66,69,78 |
| 3 | 0.17 | 1jp5B | 0.832 | 1.89 | 0.412 | 0.914 | 0.76 | III | complex3.pdb.gz | 49,50,51,52,54,66,69,71,72 |
| 4 | 0.14 | 1ibgL | 0.685 | 1.56 | 0.236 | 0.761 | 0.51 | OBN | complex4.pdb.gz | 61,64,113,114 |
| 5 | 0.09 | 1hinL | 0.684 | 1.62 | 0.256 | 0.769 | 0.52 | III | complex5.pdb.gz | 59,61,62,64 |
| 6 | 0.08 | 3dsfH | 0.800 | 0.96 | 0.531 | 0.838 | 0.55 | III | complex6.pdb.gz | 66,67,68,79,80,83 |
| 7 | 0.05 | 1xf5A | 0.696 | 1.56 | 0.278 | 0.769 | 0.51 | III | complex7.pdb.gz | 56,58,69,90 |
| 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. |
|