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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 | 0.05 | 1iil0 | 0.582 | 1.56 | 0.295 | 0.617 | 1.23 | III | complex1.pdb.gz | 50,52,54,60,73,83,84,85,86,87,88,91,92,101,116,125,127,128,130,131,132,133,165,167 |
| 2 | 0.05 | 1ihk0 | 0.601 | 2.14 | 0.280 | 0.655 | 1.10 | III | complex2.pdb.gz | 47,50,52,60,74,130,131,165,166,167,168,169,172 |
| 3 | 0.05 | 1fq9A | 0.563 | 1.41 | 0.306 | 0.593 | 0.84 | UUU | complex3.pdb.gz | 105,106,110,119,120 |
| 4 | 0.03 | 3aj5A | 0.646 | 3.34 | 0.094 | 0.789 | 0.83 | NGA | complex4.pdb.gz | 62,63,64,69,71,76,78 |
| 5 | 0.03 | 2fdb0 | 0.570 | 1.64 | 0.140 | 0.608 | 1.03 | III | complex5.pdb.gz | 43,44,45,50,52,58,60,83,85,87,88,89,91,125,127,128,132,133,148,165,166,167 |
| 6 | 0.02 | 1w3aA | 0.569 | 2.49 | 0.098 | 0.646 | 0.80 | LBT | complex6.pdb.gz | 103,105,107,113,117,120,121 |
| 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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