|
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 | 0.19 | 1i5lA | 0.848 | 1.26 | 0.268 | 0.921 | 1.38 | URI | complex1.pdb.gz | 37,39,63,64,65 |
| 2 | 0.11 | 1i5lE | 0.848 | 1.27 | 0.268 | 0.921 | 1.14 | RQA | complex2.pdb.gz | 36,37,38,39,63,65 |
| 3 | 0.05 | 1m8vC | 0.825 | 1.78 | 0.211 | 0.934 | 1.22 | RQA | complex3.pdb.gz | 6,7,10,33,34 |
| 4 | 0.05 | 1b340 | 0.827 | 1.67 | 0.205 | 0.961 | 1.14 | III | complex4.pdb.gz | 5,9,20,22,26,38,64,65,67,68,69,70,71,72,73,74 |
| 5 | 0.05 | 1b341 | 0.789 | 1.40 | 0.191 | 0.895 | 1.23 | III | complex5.pdb.gz | 25,32,33,34,35,39,40,43,47,55,58,59,60,61,62,63,65 |
| 6 | 0.05 | 3hsbB | 0.676 | 2.13 | 0.159 | 0.803 | 1.06 | QNA | complex6.pdb.gz | 20,21,23,24,25,26,28,68,69 |
| 7 | 0.04 | 1y960 | 0.720 | 2.27 | 0.171 | 0.882 | 0.93 | III | complex7.pdb.gz | 6,7,9,10,13,14,23,25,27,32,33,34,35,36,39,41,58,59,60,61,62,63,65 |
| 8 | 0.04 | 3resB | 0.672 | 1.48 | 0.190 | 0.763 | 0.83 | ADP | complex8.pdb.gz | 20,24,26 |
| 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. |
|