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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 | 3nvvC | 0.172 | 8.66 | 0.045 | 0.269 | 0.13 | UUU | complex1.pdb.gz | 103,104,105,110 |
| 2 | 0.01 | 2e3tA | 0.244 | 9.11 | 0.030 | 0.388 | 0.35 | BCT | complex2.pdb.gz | 26,27,83,104,105 |
| 3 | 0.01 | 3sr6L | 0.172 | 8.72 | 0.038 | 0.269 | 0.12 | UUU | complex3.pdb.gz | 32,33,37 |
| 4 | 0.01 | 1fiqB | 0.131 | 5.75 | 0.068 | 0.164 | 0.12 | FAD | complex4.pdb.gz | 31,32,97,100,101,104,105,106 |
| 5 | 0.01 | 2e1qA | 0.251 | 9.31 | 0.044 | 0.409 | 0.33 | BCT | complex5.pdb.gz | 35,83,102,103 |
| 6 | 0.01 | 1n5xA | 0.246 | 9.02 | 0.030 | 0.392 | 0.12 | TEI | complex6.pdb.gz | 39,100,101,102 |
| 7 | 0.01 | 2ckjD | 0.239 | 8.89 | 0.045 | 0.375 | 0.34 | PO4 | complex7.pdb.gz | 30,82,105 |
| 8 | 0.01 | 3ns1K | 0.131 | 5.84 | 0.068 | 0.165 | 0.11 | FAD | complex8.pdb.gz | 26,27,83,104 |
| 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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