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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 | 0.17 | 2cvuA | 0.524 | 4.89 | 0.073 | 0.825 | 0.27 | ANP | complex1.pdb.gz | 129,138,142,143 |
| 2 | 0.01 | 2eudA | 0.521 | 5.11 | 0.101 | 0.845 | 0.14 | GCQ | complex2.pdb.gz | 130,139,141,156 |
| 3 | 0.01 | 1xjnA | 0.514 | 4.97 | 0.067 | 0.799 | 0.18 | DTP | complex3.pdb.gz | 127,141,142 |
| 4 | 0.01 | 4r1rA | 0.515 | 5.03 | 0.055 | 0.840 | 0.24 | TTP | complex4.pdb.gz | 129,130,157 |
| 5 | 0.01 | 3r1rA | 0.517 | 5.15 | 0.061 | 0.845 | 0.31 | III | complex5.pdb.gz | 136,137,138,139 |
| 6 | 0.01 | 1xjjA | 0.507 | 4.92 | 0.066 | 0.804 | 0.18 | DGT | complex6.pdb.gz | 127,153,154 |
| 7 | 0.01 | 6r1rA | 0.518 | 5.25 | 0.071 | 0.856 | 0.35 | III | complex7.pdb.gz | 130,131,181 |
| 8 | 0.01 | 1r1rA | 0.516 | 5.24 | 0.076 | 0.851 | 0.32 | III | complex8.pdb.gz | 140,141,187,188 |
| 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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