|
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 | 2l1cA | 0.433 | 3.57 | 0.133 | 0.536 | 0.16 | III | complex1.pdb.gz | 185,195,215 |
| 2 | 0.01 | 2jkqA | 0.234 | 5.63 | 0.086 | 0.384 | 0.30 | VG8 | complex2.pdb.gz | 134,136,137,144 |
| 3 | 0.01 | 3bz3A | 0.243 | 6.46 | 0.011 | 0.428 | 0.24 | YAM | complex3.pdb.gz | 96,136,143,145,160 |
| 4 | 0.01 | 2j0lA | 0.244 | 5.67 | 0.049 | 0.392 | 0.20 | ANP | complex4.pdb.gz | 137,138,172,198 |
| 5 | 0.01 | 2ijmA | 0.234 | 5.71 | 0.075 | 0.388 | 0.29 | ATP | complex5.pdb.gz | 103,104,105,166,168,186,187 |
| 6 | 0.01 | 3pvuA | 0.369 | 3.45 | 0.075 | 0.448 | 0.19 | QRW | complex6.pdb.gz | 97,133,204,211 |
| 7 | 0.01 | 3krwA | 0.366 | 3.66 | 0.074 | 0.448 | 0.21 | BA1 | complex7.pdb.gz | 185,186,187 |
| 8 | 0.01 | 3pvwA | 0.369 | 3.45 | 0.075 | 0.448 | 0.13 | QRX | complex8.pdb.gz | 96,97,98,99,118 |
| | 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. |
|