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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 | 0.10 | 3i8gL | 0.903 | 1.08 | 0.540 | 0.955 | 1.04 | MG | Download | 23,24,25,63,64 |
| 2 | 0.02 | 1fwkB | 0.583 | 3.75 | 0.123 | 0.826 | 0.62 | ADP | Download | 41,42,46,73,77,78,81 |
| 3 | 0.02 | 1s4eD | 0.593 | 3.92 | 0.065 | 0.856 | 0.67 | ADP | Download | 29,53,65,75,76,80,81,82,85 |
| 4 | 0.02 | 1pieA | 0.599 | 4.34 | 0.085 | 0.917 | 0.66 | PO4 | Download | 13,82,83,84 |
| 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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