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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 | 0.61 | 2fmtB | 0.952 | 1.31 | 0.356 | 0.984 | 1.43 | FME | Download | 15,89,90,108,110,111,119,120 |
| 2 | 0.17 | 1rbzA | 0.523 | 2.11 | 0.191 | 0.565 | 1.08 | KT5 | Download | 14,17,38,87,89,91,92,93,94,108,110,111,119,120,141,142,143,145,146,172,175 |
| 3 | 0.17 | 1c2tA | 0.532 | 2.01 | 0.158 | 0.571 | 1.16 | GAR | Download | 17,18,89,90,91,109,111,175 |
| 4 | 0.13 | 1jkxB | 0.529 | 1.94 | 0.169 | 0.568 | 0.98 | 138 | Download | 14,17,18,19,38,89,90,91,92,93,94,99,109,110,111,141,175 |
| 5 | 0.04 | 3nrbC | 0.504 | 2.89 | 0.158 | 0.580 | 0.89 | IMD | Download | 12,36,37,91,92 |
| 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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