|
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 | 0.07 | 3m6vA | 0.868 | 1.89 | 0.269 | 0.957 | 0.18 | SAM | complex1.pdb.gz | 40,41,42,43,44,67,76,91 |
| 2 | 0.06 | 1sqfA | 0.786 | 2.22 | 0.217 | 0.877 | 0.28 | SAM | complex2.pdb.gz | 74,92,93 |
| 3 | 0.05 | 2yxlA | 0.834 | 1.60 | 0.243 | 0.908 | 0.29 | SFG | complex3.pdb.gz | 97,98,99,100,140,142 |
| 4 | 0.04 | 3a4tA | 0.755 | 2.03 | 0.210 | 0.847 | 0.24 | SFG | complex4.pdb.gz | 92,101,102,103,141 |
| 5 | 0.03 | 1wg8A | 0.593 | 3.67 | 0.141 | 0.816 | 0.15 | SAM | complex5.pdb.gz | 43,44,45,46,47,100 |
| 6 | 0.02 | 2an3A | 0.555 | 3.38 | 0.137 | 0.718 | 0.16 | CTL | complex6.pdb.gz | 44,48,92 |
| 7 | 0.02 | 1m6yA | 0.609 | 3.39 | 0.127 | 0.797 | 0.13 | SAH | complex7.pdb.gz | 93,94,100,102,103,142 |
| 8 | 0.02 | 1hnnA | 0.562 | 3.34 | 0.126 | 0.730 | 0.15 | SAH | complex8.pdb.gz | 44,45,46,49 |
| 9 | 0.02 | 3kqyA | 0.554 | 3.34 | 0.128 | 0.718 | 0.16 | ES0 | complex9.pdb.gz | 43,45,49 |
| 10 | 0.02 | 1n7iB | 0.555 | 3.27 | 0.137 | 0.718 | 0.16 | SAH | complex10.pdb.gz | 46,91,92,105,128 |
| 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. |
|