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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 | 0.61 | 2phkA | 0.717 | 1.72 | 0.263 | 0.757 | 1.31 | ATP | complex1.pdb.gz | 15,17,20,22,35,37,85,87,126,166,168,169,171,190 |
| 2 | 0.59 | 2vz6B | 0.733 | 2.11 | 0.237 | 0.792 | 1.23 | FEF | complex2.pdb.gz | 14,15,35,84,85,86,122,125,168,170,190 |
| 3 | 0.57 | 2yakA | 0.724 | 2.06 | 0.253 | 0.777 | 1.35 | OSV | complex3.pdb.gz | 14,15,16,17,20,21,22,35,37,53,68,82,84,85,122,126,168,189,190 |
| 4 | 0.57 | 3bhhB | 0.728 | 1.93 | 0.242 | 0.777 | 1.08 | 5CP | complex4.pdb.gz | 14,22,35,37,68,84,85,86,87,125,168,171,189,190 |
| 5 | 0.56 | 2y7jA | 0.715 | 1.83 | 0.277 | 0.762 | 1.04 | B49 | complex5.pdb.gz | 13,14,15,16,35,68,84,85,87,88,171,190 |
| 6 | 0.55 | 1wvyA | 0.719 | 1.99 | 0.251 | 0.771 | 0.85 | STU | complex6.pdb.gz | 14,15,22,35,37,122,168,169,171,189,190 |
| 7 | 0.35 | 2x4fB | 0.727 | 1.98 | 0.218 | 0.780 | 1.07 | 16X | complex7.pdb.gz | 14,15,22,84,85,87,90,170 |
| 8 | 0.35 | 2ckeA | 0.740 | 2.12 | 0.228 | 0.798 | 0.90 | IQU | complex8.pdb.gz | 14,15,16,22,35,122 |
| 9 | 0.33 | 3gubA | 0.728 | 1.85 | 0.256 | 0.774 | 1.08 | GUB | complex9.pdb.gz | 15,16,22,35,37,57,68,69,70,82,84,85,87,91,168,171,189 |
| 10 | 0.31 | 2ckeD | 0.740 | 2.13 | 0.232 | 0.798 | 0.85 | IQU | complex10.pdb.gz | 15,21,36,85,86,189 |
| 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. |
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