|
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 | 0.01 | 1m6vC | 0.347 | 6.82 | 0.055 | 0.582 | 0.10 | ADP | complex1.pdb.gz | 11,47,51,52,152 |
| 2 | 0.01 | 1b0pA | 0.375 | 7.34 | 0.054 | 0.662 | 0.30 | SF4 | complex2.pdb.gz | 43,44,79,80,81,85 |
| 3 | 0.01 | 1ce8E | 0.369 | 7.63 | 0.056 | 0.686 | 0.15 | IMP | complex3.pdb.gz | 40,42,43,93 |
| 4 | 0.01 | 1ce8A | 0.375 | 7.22 | 0.055 | 0.647 | 0.24 | IMP | complex4.pdb.gz | 40,42,78,79 |
| 5 | 0.01 | 1jdbE | 0.347 | 6.78 | 0.041 | 0.582 | 0.20 | PO4 | complex5.pdb.gz | 36,43,78,79,94 |
| 6 | 0.01 | 1jdbE | 0.347 | 6.78 | 0.041 | 0.582 | 0.29 | GLN | complex6.pdb.gz | 42,43,47,86 |
| 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. |
|