|
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 | 0.25 | 2errA | 0.767 | 1.80 | 0.211 | 0.905 | 1.15 | QNA | complex1.pdb.gz | 4,6,8,9,10,12,34,35,36,37,38,43,45,46,47,49,77,82,83,84 |
| 2 | 0.13 | 3nnhD | 0.873 | 1.22 | 0.198 | 0.964 | 1.09 | RQA | complex2.pdb.gz | 6,8,9,12,36,45,47,49,80,82,84 |
| 3 | 0.12 | 2i2yA | 0.770 | 1.44 | 0.284 | 0.881 | 0.95 | RQA | complex3.pdb.gz | 6,34,36,37,38,47,49 |
| 4 | 0.06 | 1p272 | 0.861 | 1.08 | 0.203 | 0.941 | 1.07 | III | complex4.pdb.gz | 4,6,32,34,36,39,40,45,46,47,51,82,83,84 |
| 5 | 0.06 | 1h2v1 | 0.850 | 1.25 | 0.241 | 0.941 | 1.32 | III | complex5.pdb.gz | 13,16,17,18,20,21,22,25,53,63,64,66,68,69,71,72 |
| 6 | 0.05 | 3nnhC | 0.873 | 1.24 | 0.198 | 0.964 | 1.09 | QNA | complex6.pdb.gz | 4,6,8,9,36,45,47,49,80,82,84 |
| 7 | 0.05 | 2xb2D | 0.862 | 1.06 | 0.203 | 0.941 | 0.85 | III | complex7.pdb.gz | 8,36,38,45,47 |
| 8 | 0.05 | 1oo01 | 0.851 | 1.15 | 0.177 | 0.941 | 0.99 | III | complex8.pdb.gz | 4,6,32,34,36,39,40,45,47,49,51 |
| 9 | 0.04 | 2kg1A | 0.671 | 2.32 | 0.171 | 0.905 | 1.06 | RQA | complex9.pdb.gz | 8,9,10,11,12,47,66,67,73,78,79,80,81,82 |
| 10 | 0.04 | 1o0pA | 0.768 | 2.35 | 0.177 | 0.941 | 0.97 | III | complex10.pdb.gz | 10,17,18,21,22,65,67,68,69,70,79 |
| 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. |
|