|
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 | 0.17 | 1i5lK | 0.679 | 0.93 | 0.290 | 0.719 | 1.32 | RQA | complex1.pdb.gz | 32,33,35,63,64,65 |
| 2 | 0.05 | 1b341 | 0.622 | 1.47 | 0.229 | 0.698 | 1.31 | III | complex2.pdb.gz | 21,28,29,30,31,35,36,39,43,55,58,59,60,61,62,63,65 |
| 3 | 0.04 | 1m8vC | 0.656 | 1.43 | 0.261 | 0.719 | 0.80 | RQA | complex3.pdb.gz | 2,3,6,29,30 |
| 4 | 0.04 | 1b340 | 0.643 | 1.89 | 0.215 | 0.740 | 1.14 | III | complex4.pdb.gz | 5,16,18,22,34,64,65,67,68,69,70,71,72,73,74 |
| 5 | 0.03 | 3resB | 0.537 | 1.27 | 0.161 | 0.583 | 1.38 | ADP | complex5.pdb.gz | 16,20,22,68,69,71 |
| 6 | 0.03 | 3rerE | 0.540 | 1.26 | 0.161 | 0.583 | 0.87 | RQA | complex6.pdb.gz | 29,30,62,64 |
| 7 | 0.03 | 1y960 | 0.553 | 2.17 | 0.154 | 0.635 | 0.87 | III | complex7.pdb.gz | 3,5,6,9,10,19,21,23,28,29,30,31,32,35,37,59,60,61,62,63,65 |
| 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. |
|