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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 | 0.62 | 1pfkA | 0.967 | 0.74 | 0.520 | 0.979 | 1.73 | FBP | Download | 12,73,126,128,170,171,172,223,252,255 |
| 2 | 0.48 | 3k2qA | 0.881 | 2.15 | 0.216 | 0.960 | 1.36 | NA | Download | 11,12,73,125 |
| 3 | 0.34 | 1pfkB | 0.966 | 0.76 | 0.520 | 0.979 | 1.84 | ADP | Download | 10,42,73,74,75,77,78,103,104,105,106,108,109 |
| 4 | 0.19 | 2f48B | 0.914 | 2.12 | 0.231 | 0.997 | 1.42 | AF3 | Download | 10,73,103,104,105,125 |
| 5 | 0.15 | 3o8lB | 0.929 | 1.77 | 0.277 | 0.982 | 1.09 | PO4 | Download | 126,128,130 |
| 6 | 0.06 | 1kzh0 | 0.917 | 2.09 | 0.234 | 0.997 | 0.81 | III | Download | 13,61,64,65,66,67,68,72,153,154,156,157,159,160,161,162,231,250,252,253,255,256,257,258 |
| 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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