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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 | 0.83 | 3heeA | 0.980 | 0.38 | 0.469 | 0.986 | 1.64 | R5P | Download | 10,11,44,67,68,69,72,111 |
| 2 | 0.08 | 1usl0 | 0.948 | 1.29 | 0.397 | 0.993 | 1.40 | III | Download | 11,43,44,45,47,49,71,72,74,75,76,78,79,80,81,83,85,86,87,89,92,101,112,137,138,141,142,145,146 |
| 3 | 0.08 | 2besB | 0.957 | 1.19 | 0.395 | 1.000 | 0.85 | RES | Download | 9,50,51,64 |
| 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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