|
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 | 0.12 | 1cc1L | 0.455 | 5.56 | 0.061 | 0.785 | 0.35 | FCO | complex1.pdb.gz | 86,87,174,177 |
| 2 | 0.01 | 2dr6A | 0.343 | 5.82 | 0.080 | 0.600 | 0.14 | DM2 | complex2.pdb.gz | 89,121,122,123 |
| 3 | 0.01 | 3aodC | 0.357 | 5.34 | 0.038 | 0.585 | 0.10 | RFP | complex3.pdb.gz | 119,121,166,179,180 |
| 4 | 0.01 | 3qbxA | 0.442 | 5.49 | 0.031 | 0.749 | 0.15 | AH0 | complex4.pdb.gz | 89,97,98,162,166 |
| 5 | 0.01 | 3qbwA | 0.450 | 5.20 | 0.045 | 0.728 | 0.22 | ADP | complex5.pdb.gz | 89,113,121,177 |
| 6 | 0.01 | 2frvL | 0.453 | 5.58 | 0.077 | 0.790 | 0.33 | FCO | complex6.pdb.gz | 98,105,158,161 |
| 7 | 0.01 | 1cb0A | 0.420 | 5.68 | 0.053 | 0.769 | 0.23 | ADE | complex7.pdb.gz | 71,72,123,125 |
| 8 | 0.01 | 1frvD | 0.456 | 5.62 | 0.083 | 0.795 | 0.28 | FEL | complex8.pdb.gz | 86,88,112,115 |
| 9 | 0.01 | 1olpB | 0.455 | 4.69 | 0.028 | 0.713 | 0.19 | CA | complex9.pdb.gz | 87,88,89 |
| 10 | 0.01 | 3aodA | 0.353 | 5.50 | 0.037 | 0.595 | 0.36 | MIY | complex10.pdb.gz | 89,173,176 |
| 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. |
|