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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 | 0.31 | 1i4oB | 0.500 | 1.90 | 0.247 | 0.525 | 0.88 | III | complex1.pdb.gz | 175,176,177,237,288,340,341,343,348 |
| 2 | 0.18 | 1jxqA | 0.527 | 2.21 | 0.263 | 0.559 | 1.14 | III | complex2.pdb.gz | 179,237,285,339,340,341,348,382 |
| 3 | 0.16 | 2c2zA | 0.323 | 2.20 | 0.266 | 0.342 | 0.91 | III | complex3.pdb.gz | 176,179,236,237,238,244,283,284,285 |
| 4 | 0.16 | 1f1jA | 0.497 | 1.88 | 0.244 | 0.522 | 1.13 | III | complex4.pdb.gz | 179,180,236,237,238,283,285,338,339,340,341,342,343 |
| 5 | 0.04 | 1jxq0 | 0.527 | 2.21 | 0.263 | 0.559 | 0.98 | III | complex5.pdb.gz | 241,334,335,367,368,371,372,375,378,384,385,386,387,388,389 |
| 6 | 0.04 | 2fun1 | 0.509 | 2.10 | 0.246 | 0.537 | 0.87 | III | complex6.pdb.gz | 237,238,285,338,339,340,341,348,351,352,358 |
| 7 | 0.04 | 1m720 | 0.502 | 2.01 | 0.244 | 0.530 | 0.84 | III | complex7.pdb.gz | 274,334,367,393,394,395,396 |
| 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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