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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 | 0.15 | 1y2aC | 0.682 | 2.62 | 0.211 | 0.915 | 0.41 | III | complex1.pdb.gz | 18,22,26,28,29,30,66,69,73,77 |
| 2 | 0.12 | 3kndA | 0.681 | 2.70 | 0.208 | 0.927 | 0.43 | III | complex2.pdb.gz | 18,22,26,28,29,30,31,66,69,73,76,77 |
| 3 | 0.12 | 2bptA | 0.771 | 1.82 | 0.093 | 0.915 | 0.71 | III | complex3.pdb.gz | 22,25,26,29,30,73 |
| 4 | 0.03 | 2bptA | 0.771 | 1.82 | 0.093 | 0.915 | 0.44 | III | complex4.pdb.gz | 17,19,20,23,25,26,27,62,65,69 |
| 5 | 0.02 | 2l1lB | 0.659 | 2.88 | 0.107 | 0.915 | 0.54 | III | complex5.pdb.gz | 13,16,17,20,23,42,43,46,47,50,54,58,59,60,63 |
| 6 | 0.01 | 1qgk1 | 0.296 | 1.61 | 0.075 | 0.329 | 0.58 | III | complex6.pdb.gz | 61,62,65,66,69,72,73,74,77 |
| 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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