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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 | 0.73 | 1nvwQ | 0.572 | 1.16 | 0.373 | 0.591 | 1.54 | GNP | complex1.pdb.gz | 33,34,35,36,37,38,39,49,50,51,52,53,55,56,80,81,82,145,146,148,149,177,178,179 |
| 2 | 0.41 | 1nvvR | 0.513 | 2.29 | 0.337 | 0.559 | 1.50 | PO4 | complex2.pdb.gz | 34,35,36,37,38,80 |
| 3 | 0.30 | 1xd2A | 0.574 | 1.10 | 0.373 | 0.591 | 1.54 | PO4 | complex3.pdb.gz | 33,37,53,55,56,80,81,82 |
| 4 | 0.06 | 3rslA | 0.538 | 1.14 | 0.378 | 0.555 | 1.63 | RSF | complex4.pdb.gz | 32,33,107,109,110 |
| 5 | 0.06 | 2uzi1 | 0.569 | 1.25 | 0.373 | 0.591 | 1.42 | III | complex5.pdb.gz | 38,46,48,50,53,54,55,57,58,59,60,61,85 |
| 6 | 0.06 | 5p210 | 0.571 | 1.20 | 0.373 | 0.591 | 1.35 | III | complex6.pdb.gz | 68,69,157,161,165,168,171,173,174,175,186,193 |
| 7 | 0.05 | 1yhnA | 0.582 | 2.15 | 0.247 | 0.630 | 1.21 | MG | complex7.pdb.gz | 37,38,56,78,79 |
| 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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