|
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 | 1ea0B | 0.254 | 9.35 | 0.033 | 0.392 | 0.19 | FMN | complex1.pdb.gz | 335,336,567,589,686 |
| 2 | 0.01 | 2c3oB | 0.264 | 9.69 | 0.037 | 0.419 | 0.28 | SF4 | complex2.pdb.gz | 458,560,561,564 |
| 3 | 0.01 | 2pdaA | 0.259 | 9.56 | 0.027 | 0.411 | 0.10 | TPP | complex3.pdb.gz | 560,562,563,564 |
| 4 | 0.01 | 1ofdA | 0.259 | 9.91 | 0.035 | 0.418 | 0.16 | FMN | complex4.pdb.gz | 330,331,334,337,562,650,651 |
| 5 | 0.01 | 1b0pA | 0.276 | 9.32 | 0.024 | 0.425 | 0.29 | SF4 | complex5.pdb.gz | 562,563,564,598 |
| 6 | 0.01 | 3ir6A | 0.271 | 10.12 | 0.034 | 0.446 | 0.13 | GDP | complex6.pdb.gz | 429,564,567,685 |
| 7 | 0.01 | 1llwA | 0.272 | 9.41 | 0.039 | 0.423 | 0.15 | FMN | complex7.pdb.gz | 330,331,564,786,787 |
| 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. |
|