|
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 | 2o7eA | 0.390 | 6.00 | 0.084 | 0.651 | 0.19 | PMI | complex1.pdb.gz | 155,158,208 |
| 2 | 0.01 | 2rjsB | 0.449 | 5.65 | 0.065 | 0.734 | 0.13 | 296 | complex2.pdb.gz | 143,208,210 |
| 3 | 0.01 | 1r1jA | 0.428 | 5.84 | 0.043 | 0.748 | 0.14 | OIR | complex3.pdb.gz | 132,137,138,141,142 |
| 4 | 0.01 | 2x9hA | 0.371 | 5.69 | 0.041 | 0.606 | 0.16 | KI9 | complex4.pdb.gz | 144,158,159,206 |
| 5 | 0.01 | 1mmdA | 0.367 | 5.55 | 0.067 | 0.615 | 0.15 | UUU | complex5.pdb.gz | 144,145,146,150 |
| 6 | 0.01 | 1d0zA | 0.364 | 6.49 | 0.052 | 0.697 | 0.21 | PNQ | complex6.pdb.gz | 134,136,137,138,139 |
| 7 | 0.01 | 1mmnA | 0.364 | 5.05 | 0.038 | 0.550 | 0.14 | ANP | complex7.pdb.gz | 143,144,145 |
| 8 | 0.01 | 2o7dB | 0.389 | 5.99 | 0.079 | 0.647 | 0.16 | DHC | complex8.pdb.gz | 143,155,156 |
| 9 | 0.01 | 1w9jA | 0.370 | 5.82 | 0.041 | 0.610 | 0.12 | UUU | complex9.pdb.gz | 133,136,137,138,139,156 |
| 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. |
|