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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 | 0.06 | 2pcpB | 0.453 | 3.71 | 0.146 | 0.558 | 0.78 | 1PC | complex1.pdb.gz | 77,132,134,149,151 |
| 2 | 0.05 | 1q72H | 0.455 | 3.66 | 0.138 | 0.561 | 0.68 | COC | complex2.pdb.gz | 73,75,134,135,136,148 |
| 3 | 0.04 | 1ct8B | 0.446 | 3.83 | 0.147 | 0.554 | 0.60 | TAA | complex3.pdb.gz | 76,78,83,133,135 |
| 4 | 0.03 | 25c8L | 0.414 | 3.70 | 0.127 | 0.509 | 0.64 | GEP | complex4.pdb.gz | 77,79,80,83,131,133 |
| 5 | 0.03 | 1kcsL | 0.388 | 3.11 | 0.141 | 0.454 | 0.67 | III | complex5.pdb.gz | 77,132,133,152 |
| 6 | 0.02 | 1ehlL | 0.426 | 3.90 | 0.149 | 0.528 | 0.72 | QNA | complex6.pdb.gz | 48,50,54 |
| 7 | 0.02 | 1vpoH | 0.455 | 3.64 | 0.133 | 0.558 | 0.61 | TES | complex7.pdb.gz | 75,84,87,99 |
| 8 | 0.01 | 3ls4H | 0.455 | 3.73 | 0.113 | 0.558 | 0.62 | TCI | complex8.pdb.gz | 74,76,84,87,98,136,137,150 |
| 9 | 0.01 | 1q9lC | 0.385 | 2.61 | 0.109 | 0.435 | 0.63 | MG | complex9.pdb.gz | 55,57,119,121 |
| 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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