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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 | 0.01 | 2wu2E | 0.332 | 6.26 | 0.050 | 0.599 | 0.15 | TEO | complex1.pdb.gz | 137,176,178,179 |
| 2 | 0.01 | 3p4rA | 0.354 | 6.21 | 0.028 | 0.636 | 0.19 | GUA | complex2.pdb.gz | 182,187,188 |
| 3 | 0.01 | 1nekA | 0.397 | 5.78 | 0.015 | 0.645 | 0.13 | OAA | complex3.pdb.gz | 144,184,186,188 |
| 4 | 0.01 | 2fbwA | 0.401 | 6.06 | 0.039 | 0.686 | 0.18 | TEO | complex4.pdb.gz | 97,137,175,177,178 |
| 5 | 0.01 | 1hdhB | 0.293 | 6.29 | 0.031 | 0.537 | 0.15 | SO4 | complex5.pdb.gz | 47,118,139 |
| 6 | 0.01 | 3p4rM | 0.318 | 6.29 | 0.043 | 0.570 | 0.16 | GUA | complex6.pdb.gz | 137,175,177,178 |
| 7 | 0.01 | 3p4pA | 0.398 | 5.60 | 0.039 | 0.640 | 0.16 | FMR | complex7.pdb.gz | 142,182,187,188 |
| 8 | 0.01 | 1kf6M | 0.331 | 5.83 | 0.033 | 0.566 | 0.21 | OAA | complex8.pdb.gz | 141,182,186,189 |
| 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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