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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 | 3fgoA | 0.375 | 5.95 | 0.054 | 0.621 | 0.23 | CZA | complex1.pdb.gz | 60,64,80,95,96,102 |
| 2 | 0.01 | 2by4A | 0.451 | 5.07 | 0.060 | 0.677 | 0.13 | AD4 | complex2.pdb.gz | 18,22,25 |
| 3 | 0.01 | 3fgoB | 0.400 | 5.72 | 0.023 | 0.645 | 0.26 | CZA | complex3.pdb.gz | 61,63,65,96,99,118 |
| 4 | 0.01 | 3fgoA | 0.375 | 5.95 | 0.054 | 0.621 | 0.12 | ACP | complex4.pdb.gz | 82,120,121 |
| 5 | 0.01 | 2oa0A | 0.413 | 5.71 | 0.029 | 0.673 | 0.20 | CZA | complex5.pdb.gz | 65,96,99 |
| 6 | 0.01 | 1wpgA | 0.366 | 5.87 | 0.054 | 0.605 | 0.10 | ADP | complex6.pdb.gz | 84,94,95 |
| 7 | 0.01 | 2easA | 0.448 | 5.12 | 0.077 | 0.681 | 0.17 | CZA | complex7.pdb.gz | 82,117,118,119,120,121 |
| 8 | 0.01 | 1wpgA | 0.366 | 5.87 | 0.054 | 0.605 | 0.23 | MF4 | complex8.pdb.gz | 45,46,47,48,110 |
| 9 | 0.01 | 3ar7A | 0.380 | 5.65 | 0.048 | 0.601 | 0.12 | 128 | complex9.pdb.gz | 85,117,119 |
| 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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