|
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 | 0.57 | 2vg3B | 0.706 | 2.16 | 0.337 | 0.757 | 1.44 | GPP | complex1.pdb.gz | 33,34,35,36,37,38,47,51,77,82,86 |
| 2 | 0.41 | 2e9aB | 0.613 | 1.56 | 0.341 | 0.643 | 1.58 | B28 | complex2.pdb.gz | 35,36,37,47,51 |
| 3 | 0.41 | 1v7uA | 0.657 | 1.48 | 0.348 | 0.682 | 1.48 | FPP | complex3.pdb.gz | 34,35,36,37,38,47,51,54,55,58,77,89,93,96,97,232 |
| 4 | 0.30 | 2vg2A | 0.706 | 2.10 | 0.339 | 0.754 | 0.99 | IPE | complex4.pdb.gz | 32,33,34,76,79,82,205,211,213 |
| 5 | 0.13 | 1uehB | 0.634 | 1.83 | 0.344 | 0.673 | 1.21 | OXN | complex5.pdb.gz | 33,36,51,54,55,77,100,120,127,152,154,232 |
| 6 | 0.11 | 2e9aA | 0.610 | 2.06 | 0.326 | 0.655 | 0.81 | B28 | complex6.pdb.gz | 51,77,94,97 |
| 7 | 0.06 | 1f750 | 0.619 | 1.66 | 0.350 | 0.652 | 1.05 | III | complex7.pdb.gz | 159,163,166,199,209,210,211,212,213,214,217,218,221,222,224,225,227 |
| 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. |
|