|
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 | 3lwwC | 0.586 | 5.55 | 0.079 | 0.797 | 0.12 | III | Download | 118,122,160,318,367,371 |
| 2 | 0.01 | 1ejyI | 0.457 | 6.13 | 0.051 | 0.650 | 0.13 | III | Download | 112,116,118,194 |
| 3 | 0.01 | 1pjmB | 0.457 | 6.10 | 0.051 | 0.648 | 0.12 | III | Download | 47,51,58,112,115,119,122,123 |
| 4 | 0.01 | 3l3qA | 0.460 | 5.95 | 0.054 | 0.646 | 0.12 | III | Download | 20,58,77 |
| 5 | 0.01 | 1q1sC | 0.460 | 6.06 | 0.059 | 0.650 | 0.19 | III | Download | 51,55,57,58,119,122 |
| 6 | 0.01 | 3kndA | 0.456 | 6.08 | 0.049 | 0.646 | 0.12 | III | Download | 20,58,80 |
| 7 | 0.01 | 2h4mA | 0.589 | 4.66 | 0.069 | 0.735 | 0.10 | III | Download | 51,115,119 |
| 8 | 0.01 | 3rz9A | 0.457 | 6.01 | 0.055 | 0.644 | 0.12 | III | Download | 32,33,80,113,116,120,123,124 |
| 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. |
|