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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 | 3k30A | 0.447 | 5.16 | 0.086 | 0.714 | 0.56 | SF4 | complex1.pdb.gz | 11,15,16,17,18,21,22,23 |
| 2 | 0.01 | 3k30B | 0.444 | 5.20 | 0.086 | 0.724 | 0.51 | ADP | complex2.pdb.gz | 10,11,17,18,37,39,123 |
| 3 | 0.01 | 1vsa2 | 0.190 | 4.70 | 0.056 | 0.286 | 0.81 | III | complex3.pdb.gz | 14,18,19,24,26 |
| 4 | 0.01 | 1satA | 0.418 | 5.65 | 0.041 | 0.739 | 0.41 | ZN | complex4.pdb.gz | 10,14,17 |
| 5 | 0.01 | 2i2t8 | 0.154 | 2.74 | 0.053 | 0.187 | 0.45 | III | complex5.pdb.gz | 94,97,99,102,103,104,107 |
| 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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