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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 | 0.65 | 2b3tA | 0.959 | 0.75 | 0.237 | 0.972 | 1.50 | SAH | Download | 88,89,91,118,119,120,121,123,124,141,142,143,167,168,169,186,188,208,209 |
| 2 | 0.20 | 1sg9B | 0.885 | 1.72 | 0.252 | 0.943 | 1.50 | GLN | Download | 89,92,186,187,189,242 |
| 3 | 0.17 | 3egiA | 0.508 | 3.11 | 0.133 | 0.589 | 1.38 | ADP | Download | 117,118,120,141,142,143,146,167,168,169,188 |
| 4 | 0.03 | 3cjqA | 0.557 | 3.27 | 0.131 | 0.642 | 0.96 | 2MM | Download | 95,186,187,243 |
| 5 | 0.03 | 3dmhA | 0.583 | 2.75 | 0.112 | 0.652 | 0.92 | GMP | Download | 95,186,189,244,247 |
| 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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