|
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 | 3pcsC | 0.433 | 3.65 | 0.098 | 0.759 | 0.11 | III | complex1.pdb.gz | 58,59,64 |
| 2 | 0.01 | 3mkhA | 0.438 | 4.45 | 0.073 | 0.868 | 0.20 | FAD | complex2.pdb.gz | 21,23,62,63 |
| 3 | 0.01 | 2rehB | 0.343 | 3.95 | 0.036 | 0.651 | 0.12 | FAD | complex3.pdb.gz | 23,32,33 |
| 4 | 0.01 | 3mkhB | 0.429 | 4.44 | 0.060 | 0.868 | 0.22 | FAD | complex4.pdb.gz | 22,60,61,64 |
| 5 | 0.01 | 3pcsB | 0.363 | 4.57 | 0.052 | 0.735 | 0.13 | III | complex5.pdb.gz | 17,18,21,24,64 |
| 6 | 0.01 | 2c0uC | 0.345 | 3.80 | 0.036 | 0.639 | 0.12 | UUU | complex6.pdb.gz | 18,19,22,32 |
| 7 | 0.01 | 1yiqA | 0.431 | 4.21 | 0.028 | 0.843 | 0.13 | HEM | complex7.pdb.gz | 37,58,61,62,63,64 |
| 8 | 0.01 | 3d9dA | 0.339 | 4.06 | 0.036 | 0.663 | 0.15 | FAD | complex8.pdb.gz | 21,22,38,39 |
| 9 | 0.01 | 1kb0A | 0.433 | 4.13 | 0.069 | 0.843 | 0.12 | HEC | complex9.pdb.gz | 34,37,57,58,61,62,63,64 |
| 10 | 0.01 | 1a3a0 | 0.429 | 4.07 | 0.057 | 0.783 | 0.19 | III | complex10.pdb.gz | 40,62,79,81 |
| 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. |
|