|
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 | 2ix5B | 0.518 | 3.32 | 0.079 | 0.714 | 0.19 | FAD | Download | 7,9,17,109 |
| 2 | 0.01 | 2ix6D | 0.516 | 3.59 | 0.070 | 0.731 | 0.19 | FAD | Download | 37,106,109 |
| 3 | 0.01 | 1vsa8 | 0.135 | 3.23 | 0.073 | 0.193 | 0.39 | III | Download | 93,97,98,100,101,108 |
| 4 | 0.01 | 2ix5A | 0.512 | 3.61 | 0.078 | 0.731 | 0.23 | FAD | Download | 33,34,107,109 |
| 5 | 0.01 | 2r0nA | 0.378 | 4.47 | 0.057 | 0.681 | 0.10 | TGC | Download | 41,42,45,46,49 |
| 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. |
|