|
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 | 0.01 | 2jjoA | 0.553 | 3.18 | 0.121 | 0.925 | 0.21 | EY5 | complex1.pdb.gz | 18,36,40 |
| 2 | 0.01 | 1uedA | 0.560 | 3.14 | 0.123 | 0.895 | 0.12 | HEM | complex2.pdb.gz | 34,35,38,39 |
| 3 | 0.01 | 1swv0 | 0.548 | 3.41 | 0.106 | 0.895 | 0.19 | III | complex3.pdb.gz | 58,59,62,64 |
| 4 | 0.01 | 3acwA | 0.550 | 3.16 | 0.032 | 0.836 | 0.14 | 651 | complex4.pdb.gz | 36,40,43 |
| 5 | 0.01 | 3acxA | 0.541 | 2.96 | 0.032 | 0.836 | 0.12 | 673 | complex5.pdb.gz | 13,36,39,40 |
| 6 | 0.01 | 3l1lA | 0.565 | 3.27 | 0.047 | 0.895 | 0.17 | ARG | complex6.pdb.gz | 47,48,51,52 |
| 7 | 0.01 | 2zcsA | 0.553 | 3.13 | 0.016 | 0.836 | 0.22 | B70 | complex7.pdb.gz | 10,13,14,17,23,36,39,40,43 |
| 8 | 0.01 | 2zcpA | 0.551 | 2.93 | 0.032 | 0.836 | 0.11 | FPS | complex8.pdb.gz | 36,39,40,43,44,47 |
| 9 | 0.01 | 3ae0B | 0.551 | 2.94 | 0.032 | 0.836 | 0.11 | GGS | complex9.pdb.gz | 36,39,40,43,44,47 |
| 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. |
|