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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 | 0.01 | 1jdbH | 0.425 | 5.97 | 0.050 | 0.704 | 0.35 | GLN | complex1.pdb.gz | 176,248,249 |
| 2 | 0.01 | 1a9x0 | 0.411 | 6.37 | 0.054 | 0.711 | 0.21 | III | complex2.pdb.gz | 189,190,197,198,199 |
| 3 | 0.01 | 1ce8G | 0.426 | 6.03 | 0.062 | 0.719 | 0.11 | IMP | complex3.pdb.gz | 192,196,248 |
| 4 | 0.01 | 1a9x1 | 0.411 | 6.37 | 0.054 | 0.711 | 0.29 | III | complex4.pdb.gz | 190,193,194,195 |
| 5 | 0.01 | 1a9xA | 0.411 | 6.37 | 0.054 | 0.711 | 0.13 | PO4 | complex5.pdb.gz | 192,194,197 |
| 6 | 0.01 | 1a9x3 | 0.426 | 5.86 | 0.063 | 0.700 | 0.19 | III | complex6.pdb.gz | 189,192,195,196,197,198,201 |
| 7 | 0.01 | 1jdbB | 0.410 | 6.41 | 0.050 | 0.715 | 0.15 | GLN | complex7.pdb.gz | 196,238,244,245 |
| 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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