|
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 | 0.59 | 1bwfY | 0.955 | 1.28 | 0.550 | 0.976 | 1.71 | ATF | Download | 14,15,16,17,270,271,314,315,318,330,331,333,415,416,419 |
| 2 | 0.48 | 3g25D | 0.971 | 1.06 | 0.520 | 0.986 | 1.48 | NA | Download | 14,15,16,17,19,271 |
| 3 | 0.34 | 1gljO | 0.957 | 1.20 | 0.550 | 0.976 | 1.68 | GOL | Download | 15,85,86,105,136,249,250,274 |
| 4 | 0.33 | 1gla0 | 0.945 | 1.30 | 0.553 | 0.966 | 1.58 | III | Download | 39,41,44,106,319,323,324,326,344,352,365,366,367,368,369,370,371,372,373,374,375,376,377,380,492,493,496,498 |
| 5 | 0.33 | 1glcG | 0.946 | 1.28 | 0.553 | 0.966 | 1.42 | MG | Download | 12,19,249 |
| 6 | 0.16 | 2cgjA | 0.821 | 2.83 | 0.157 | 0.903 | 0.93 | ADP | Download | 16,19,270,271,313,318,330,334,415,416,418,419 |
| 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. |
|