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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 | 1v0fE | 0.323 | 7.43 | 0.038 | 0.554 | 0.67 | SIA | complex1.pdb.gz | 156,157,158,160,162 |
| 2 | 0.01 | 1i1eA | 0.304 | 7.59 | 0.036 | 0.520 | 0.45 | DM2 | complex2.pdb.gz | 133,135,136,137,152,153 |
| 3 | 0.01 | 1f31A | 0.315 | 7.20 | 0.014 | 0.516 | 0.63 | UUU | complex3.pdb.gz | 127,128,134,136,139 |
| 4 | 0.01 | 1v0fD | 0.319 | 7.50 | 0.022 | 0.548 | 0.63 | SIA | complex4.pdb.gz | 149,150,151,157,158,160 |
| 5 | 0.01 | 3gvkB | 0.319 | 7.53 | 0.037 | 0.552 | 0.59 | UUU | complex5.pdb.gz | 132,133,134,135,137,138,139,150 |
| 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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