|
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 | 3hb9A | 0.319 | 7.39 | 0.034 | 0.538 | 0.16 | ADP | complex1.pdb.gz | 42,108,167 |
| 2 | 0.01 | 2drdA | 0.279 | 7.55 | 0.031 | 0.482 | 0.21 | MIY | complex2.pdb.gz | 141,143,162 |
| 3 | 0.01 | 2vz9A | 0.288 | 7.20 | 0.040 | 0.477 | 0.12 | NAP | complex3.pdb.gz | 45,105,135,136,177 |
| 4 | 0.01 | 3aodA | 0.306 | 7.44 | 0.042 | 0.512 | 0.24 | MIY | complex4.pdb.gz | 85,86,131,171 |
| 5 | 0.01 | 3hfzB | 0.310 | 7.70 | 0.042 | 0.542 | 0.23 | MTY | complex5.pdb.gz | 86,106,162 |
| 6 | 0.01 | 2uv8G | 0.296 | 7.27 | 0.031 | 0.488 | 0.10 | FMN | complex6.pdb.gz | 169,170,172 |
| 7 | 0.01 | 2amcB | 0.289 | 8.02 | 0.025 | 0.523 | 0.24 | TYR | complex7.pdb.gz | 87,88,89,108,132,162 |
| 8 | 0.01 | 2uvaG | 0.334 | 7.37 | 0.048 | 0.555 | 0.12 | FMN | complex8.pdb.gz | 59,64,85,86,87 |
| 9 | 0.01 | 2vkzG | 0.331 | 7.64 | 0.025 | 0.572 | 0.11 | FMN | complex9.pdb.gz | 41,107,179 |
| 10 | 0.01 | 3aodC | 0.319 | 7.28 | 0.044 | 0.527 | 0.12 | RFP | complex10.pdb.gz | 138,140,141 |
| 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. |
|