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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 | 2ebfX | 0.361 | 7.73 | 0.038 | 0.631 | 0.20 | TRE | complex1.pdb.gz | 96,97,99 |
| 2 | 0.01 | 1m6vC | 0.360 | 7.58 | 0.041 | 0.608 | 0.10 | ADP | complex2.pdb.gz | 114,115,116,125,126 |
| 3 | 0.01 | 1ce8G | 0.358 | 8.02 | 0.061 | 0.645 | 0.25 | IMP | complex3.pdb.gz | 81,82,125,147,148,149,152 |
| 4 | 0.01 | 1t36A | 0.372 | 7.59 | 0.037 | 0.633 | 0.33 | U | complex4.pdb.gz | 80,81,114,125,126,129 |
| 5 | 0.01 | 1ce8A | 0.362 | 7.95 | 0.054 | 0.643 | 0.29 | IMP | complex5.pdb.gz | 82,83,93,129,148,153 |
| 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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