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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 | 0.68 | 1meyC | 0.867 | 1.25 | 0.538 | 0.976 | 1.23 | UUU | complex1.pdb.gz | 17,29,41,42,46,70 |
| 2 | 0.68 | 1meyF | 0.916 | 0.84 | 0.538 | 0.976 | 1.55 | QNA | complex2.pdb.gz | 8,10,11,12,15,18,19,22,40,43,46,47,50,64,68,71,74,75,78 |
| 3 | 0.45 | 1a1hA | 0.927 | 0.89 | 0.358 | 0.988 | 1.10 | QNA | complex3.pdb.gz | 40,42,69 |
| 4 | 0.35 | 1tf3A | 0.732 | 2.35 | 0.333 | 0.988 | 0.95 | QNA | complex4.pdb.gz | 21,27,36,37,38,39,43,46,47,50,55,65,66,67,71,74,75,77,78 |
| 5 | 0.22 | 2jp9A | 0.868 | 1.13 | 0.392 | 0.963 | 1.09 | QNA | complex5.pdb.gz | 10,12,15,18,19,22,36,38,39,40,43,47,50,66,68,71,74 |
| 6 | 0.10 | 2i13B | 0.945 | 0.82 | 0.573 | 1.000 | 0.95 | QNA | complex6.pdb.gz | 8,10,11,12,15,19,22,38,42,43,46,47,50,64,66,68,71,75,78 |
| 7 | 0.06 | 1f2i0 | 0.653 | 1.39 | 0.333 | 0.732 | 0.90 | III | complex7.pdb.gz | 24,28,29,32,39,40,44,45,48,52,54 |
| 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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