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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 | 1u8s0 | 0.544 | 3.48 | 0.083 | 0.737 | 0.51 | III | Download | 6,8,9,10,12,22,23,26,27,30,34,35,36,37,38,39,40,43,44,58,60,62,85,86,87,89,91,92 |
| 2 | 0.01 | 1cbkA | 0.546 | 3.84 | 0.042 | 0.774 | 0.48 | ROI | Download | 43,44,46,56,58 |
| 3 | 0.01 | 3mcoB | 0.534 | 3.50 | 0.060 | 0.723 | 0.42 | PH2 | Download | 43,44,46,57,59,85 |
| 4 | 0.01 | 3mcnB | 0.534 | 3.40 | 0.060 | 0.715 | 0.43 | B57 | Download | 42,56,58 |
| 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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