|
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 | 0.74 | 3gftD | 0.600 | 1.09 | 0.347 | 0.620 | 1.56 | GNP | complex1.pdb.gz | 36,37,38,39,40,41,42,52,53,54,55,84,147,148,150,151,177,178 |
| 2 | 0.43 | 1nvvR | 0.595 | 2.06 | 0.295 | 0.645 | 1.66 | PO4 | complex2.pdb.gz | 37,38,39,40,41,83,85 |
| 3 | 0.39 | 1xd2A | 0.662 | 1.16 | 0.313 | 0.686 | 1.44 | PO4 | complex3.pdb.gz | 36,40,56,58,59,83,84 |
| 4 | 0.19 | 3rslA | 0.624 | 1.07 | 0.333 | 0.645 | 1.58 | RSF | complex4.pdb.gz | 35,36,117,119,120 |
| 5 | 0.11 | 1agpA | 0.657 | 1.29 | 0.307 | 0.686 | 1.25 | MG | complex5.pdb.gz | 40,41,59,81,82 |
| 6 | 0.06 | 5p210 | 0.656 | 1.34 | 0.313 | 0.686 | 1.42 | III | complex6.pdb.gz | 71,72,159,163,167,170,171,173,174,175,187,194,199 |
| 7 | 0.06 | 2uzi1 | 0.657 | 1.26 | 0.307 | 0.686 | 1.30 | III | complex7.pdb.gz | 41,49,51,53,56,58,60,61,62,63,64 |
| 8 | 0.05 | 1z0k0 | 0.665 | 1.31 | 0.274 | 0.694 | 1.23 | III | complex8.pdb.gz | 24,44,45,48,59,60,61,62,63,64,65,76,78,80,96,102 |
| 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. |
|