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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 | 0.21 | 2uv8G | 0.854 | 2.94 | 0.063 | 0.902 | 0.18 | FMN | complex1.pdb.gz | 573,584,636,666,693 |
| 2 | 0.21 | 2uvaI | 0.847 | 3.31 | 0.061 | 0.905 | 0.21 | FMN | complex2.pdb.gz | 580,635,666,693,733,776,779 |
| 3 | 0.12 | 2uvcG | 0.846 | 3.30 | 0.064 | 0.905 | 0.17 | FMN | complex3.pdb.gz | 664,774,775,808 |
| 4 | 0.06 | 2uvaG | 0.846 | 3.25 | 0.061 | 0.903 | 0.13 | FMN | complex4.pdb.gz | 580,581,637 |
| 5 | 0.02 | 3cmvA | 0.276 | 9.07 | 0.067 | 0.413 | 0.18 | ANP | complex5.pdb.gz | 607,609,638,639 |
| 6 | 0.01 | 2vz9B | 0.321 | 7.80 | 0.040 | 0.432 | 0.16 | NAP | complex6.pdb.gz | 620,635,664,665 |
| 7 | 0.01 | 2vz9A | 0.353 | 7.84 | 0.037 | 0.471 | 0.16 | NAP | complex7.pdb.gz | 601,620,1002,1003 |
| 8 | 0.01 | 1ofdA | 0.308 | 8.74 | 0.027 | 0.447 | 0.13 | AKG | complex8.pdb.gz | 580,667,668,729,730 |
| 9 | 0.01 | 1llwA | 0.308 | 8.69 | 0.025 | 0.447 | 0.15 | FMN | complex9.pdb.gz | 606,731,732,806,808 |
| 10 | 0.01 | 1ea0B | 0.300 | 8.62 | 0.028 | 0.433 | 0.23 | FMN | complex10.pdb.gz | 575,576,603,736,737,738,778,779,809,810 |
| 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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