|
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 | 2g25B | 0.479 | 5.57 | 0.060 | 0.835 | 0.17 | TDK | complex1.pdb.gz | 52,126,132 |
| 2 | 0.01 | 3lq2A | 0.478 | 5.47 | 0.049 | 0.830 | 0.22 | TDP | complex2.pdb.gz | 66,83,100,101,102 |
| 3 | 0.01 | 3lq4B | 0.476 | 5.52 | 0.049 | 0.830 | 0.22 | TDP | complex3.pdb.gz | 35,48,128 |
| 4 | 0.01 | 2o1xD | 0.454 | 5.50 | 0.061 | 0.808 | 0.13 | TDP | complex4.pdb.gz | 57,58,59,84,85 |
| 5 | 0.01 | 1qgdA | 0.440 | 5.69 | 0.044 | 0.793 | 0.14 | TPP | complex5.pdb.gz | 97,135,137 |
| 6 | 0.01 | 2qtcA | 0.479 | 5.46 | 0.049 | 0.830 | 0.30 | TDK | complex6.pdb.gz | 84,141,147 |
| 7 | 0.01 | 2r8pB | 0.444 | 5.72 | 0.033 | 0.803 | 0.18 | T6F | complex7.pdb.gz | 30,31,35,102 |
| 8 | 0.01 | 2gk6A | 0.464 | 5.19 | 0.060 | 0.777 | 0.12 | UUU | complex8.pdb.gz | 43,44,45,46 |
| 9 | 0.01 | 3lplA | 0.451 | 5.82 | 0.081 | 0.835 | 0.18 | TDP | complex9.pdb.gz | 75,98,99,100 |
| 10 | 0.01 | 2g25A | 0.480 | 5.60 | 0.065 | 0.840 | 0.16 | TDK | complex10.pdb.gz | 101,102,128 |
| 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. |
|