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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 | 1p4tA | 0.532 | 4.46 | 0.067 | 0.898 | 0.53 | CXE | complex1.pdb.gz | 13,15,24,46,48 |
| 2 | 0.01 | 2ervB | 0.509 | 4.24 | 0.073 | 0.836 | 0.50 | CXE | complex2.pdb.gz | 3,31,32,38,39 |
| 3 | 0.01 | 1xjjA | 0.484 | 4.75 | 0.066 | 0.844 | 0.44 | DGT | complex3.pdb.gz | 11,12,27,47,48,56,57,104 |
| 4 | 0.01 | 2ervB | 0.509 | 4.24 | 0.073 | 0.836 | 0.41 | CXE | complex4.pdb.gz | 13,15,25,49,55 |
| 5 | 0.01 | 1xjnC | 0.483 | 4.62 | 0.057 | 0.836 | 0.45 | DTP | complex5.pdb.gz | 3,4,5,36,42,59,61 |
| 6 | 0.01 | 3fidB | 0.482 | 4.75 | 0.041 | 0.867 | 0.49 | CXE | complex6.pdb.gz | 11,13,24,26,48 |
| 7 | 0.01 | 2ervB | 0.509 | 4.24 | 0.073 | 0.836 | 0.42 | CXE | complex7.pdb.gz | 14,23,24,55 |
| 8 | 0.01 | 1xjnA | 0.461 | 4.75 | 0.033 | 0.828 | 0.42 | DTP | complex8.pdb.gz | 5,6,7,43,60 |
| 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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