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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 | 0.14 | 1nekA | 0.459 | 5.17 | 0.074 | 0.750 | 0.11 | FAD | Download | 66,67,77,79,82,83,84,99 |
| 2 | 0.08 | 1i97D | 0.942 | 0.99 | 0.431 | 0.971 | 0.39 | TAC | Download | 84,89,90 |
| 3 | 0.01 | 1kb92 | 0.344 | 5.73 | 0.038 | 0.601 | 0.12 | III | Download | 195,196,199 |
| 4 | 0.01 | 1qlb0 | 0.416 | 5.59 | 0.086 | 0.697 | 0.15 | III | Download | 59,61,65 |
| 5 | 0.01 | 3p4qM | 0.458 | 5.04 | 0.045 | 0.731 | 0.14 | OAA | Download | 77,87,88 |
| 6 | 0.01 | 1chu0 | 0.427 | 5.82 | 0.017 | 0.750 | 0.12 | III | Download | 87,88,90,91,94,95,107,108 |
| 7 | 0.01 | 1nekA | 0.459 | 5.17 | 0.074 | 0.750 | 0.35 | CA | Download | 104,105,106,114 |
| 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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