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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 | 1oh8B | 0.426 | 5.68 | 0.060 | 0.662 | 0.46 | QNA | Download | 114,119,158 |
| 2 | 0.01 | 1wbbA | 0.429 | 5.71 | 0.056 | 0.658 | 0.45 | ADP | Download | 79,123,125,126,127,128,260 |
| 3 | 0.01 | 2j9tA | 0.404 | 5.04 | 0.027 | 0.589 | 0.82 | BO3 | Download | 114,118,157,158,161 |
| 4 | 0.01 | 3rkoM | 0.425 | 5.70 | 0.093 | 0.665 | 0.42 | CA7 | Download | 156,163,164,167,168 |
| 5 | 0.01 | 3mmoA | 0.402 | 6.03 | 0.053 | 0.658 | 0.50 | NA | Download | 114,115,116,160 |
| 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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