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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 | 0.20 | 1r5iF | 0.388 | 5.46 | 0.384 | 0.615 | 1.40 | III | complex1.pdb.gz | 37,39,73,82,83,87,93,96,97,100,103,104,107,108,111,112,115 |
| 2 | 0.18 | 1j8hB | 0.382 | 5.26 | 0.422 | 0.593 | 1.44 | III | complex2.pdb.gz | 37,39,52,56,63,73,83,86,87,93,96,97,103,104,107,108,111,112,115 |
| 3 | 0.18 | 1hxy0 | 0.399 | 5.12 | 0.417 | 0.608 | 1.40 | III | complex3.pdb.gz | 95,102,103,106,107 |
| 4 | 0.15 | 1kg00 | 0.391 | 5.24 | 0.344 | 0.604 | 1.47 | III | complex4.pdb.gz | 68,69,70,71,72,74,88,89,90,91 |
| 5 | 0.11 | 1j8h4 | 0.382 | 5.26 | 0.422 | 0.593 | 1.01 | III | complex5.pdb.gz | 33,34,35,36,37,38,39,40,41,42,43,44,45,46,55,57,58,59,60,63,79,83,104,115,116,117 |
| 6 | 0.11 | 1aqdB | 0.386 | 3.05 | 0.467 | 0.447 | 1.63 | III | complex6.pdb.gz | 37,39,73,82,83,86,87,93,96,97,103,104,107,108,111,112 |
| 7 | 0.09 | 2ipkB | 0.401 | 4.91 | 0.333 | 0.597 | 0.94 | III | complex7.pdb.gz | 73,83,97,104,107,108,111,112,115 |
| 8 | 0.06 | 1ymmB | 0.375 | 5.34 | 0.364 | 0.593 | 1.55 | III | complex8.pdb.gz | 39,52,54,82,83,86,87,93,104,107,108 |
| 9 | 0.06 | 1d6eB | 0.383 | 5.26 | 0.385 | 0.597 | 1.38 | III | complex9.pdb.gz | 39,52,73,87,93,97,100,103,104,107,108,111 |
| 10 | 0.05 | 2g9hB | 0.397 | 5.31 | 0.389 | 0.619 | 1.17 | III | complex10.pdb.gz | 35,39,73,96,97,100,104,107,108,111,112,115 |
| 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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