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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 | 0.02 | 1cgwA | 0.468 | 3.41 | 0.096 | 0.702 | 0.73 | MAL | complex1.pdb.gz | 11,12,14,15,16,38,52 |
| 2 | 0.01 | 1pezA | 0.472 | 3.40 | 0.096 | 0.702 | 0.58 | MPD | complex2.pdb.gz | 13,14,15,75 |
| 3 | 0.01 | 1eo7A | 0.470 | 3.51 | 0.095 | 0.711 | 0.54 | GLC | complex3.pdb.gz | 9,10,11,12,14,16 |
| 4 | 0.01 | 2j72A | 0.483 | 3.11 | 0.084 | 0.702 | 0.58 | GLC | complex4.pdb.gz | 18,28,29,30,31,71 |
| 5 | 0.01 | 1i8l1 | 0.466 | 3.47 | 0.048 | 0.684 | 0.73 | III | complex5.pdb.gz | 16,19,71,72,79,80,81 |
| 6 | 0.01 | 1i853 | 0.450 | 3.31 | 0.037 | 0.667 | 0.77 | III | complex6.pdb.gz | 16,18,32,71,72,77,78 |
| 7 | 0.01 | 3bx71 | 0.472 | 3.27 | 0.060 | 0.684 | 0.57 | III | complex7.pdb.gz | 11,12,13,14,15,18,71,73,74,75,77,78,79,105 |
| 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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