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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 | 0.01 | 1un9A | 0.461 | 4.76 | 0.040 | 0.794 | 0.32 | 2HA | complex1.pdb.gz | 32,33,37 |
| 2 | 0.01 | 1ofzB | 0.463 | 4.84 | 0.059 | 0.815 | 0.34 | FUL | complex2.pdb.gz | 3,4,29 |
| 3 | 0.01 | 1un9A | 0.461 | 4.76 | 0.040 | 0.794 | 0.23 | ANP | complex3.pdb.gz | 9,10,11,55 |
| 4 | 0.01 | 3qfzA | 0.459 | 4.85 | 0.041 | 0.801 | 0.11 | NOJ | complex4.pdb.gz | 10,27,127,129 |
| 5 | 0.01 | 2btdA | 0.461 | 4.89 | 0.094 | 0.808 | 0.23 | ADP | complex5.pdb.gz | 9,28,44,56,122 |
| 6 | 0.01 | 2ecpA | 0.455 | 4.81 | 0.029 | 0.801 | 0.17 | PLP | complex6.pdb.gz | 2,38,39,42 |
| 7 | 0.01 | 1ofzA | 0.463 | 4.88 | 0.058 | 0.822 | 0.31 | FUL | complex7.pdb.gz | 8,11,27 |
| 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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