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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 | 0.40 | 1t5bA | 0.900 | 1.51 | 0.293 | 0.960 | 1.38 | FMN | Download | 10,12,17,18,19,86,87,88,89,90,134,135,136,137,139 |
| 2 | 0.18 | 3r6wB | 0.852 | 1.67 | 0.221 | 0.909 | 0.92 | NFZ | Download | 104,110,121,157 |
| 3 | 0.16 | 2bzsA | 0.780 | 2.92 | 0.156 | 0.935 | 0.91 | FAD | Download | 10,17,18,19,21,86,87,133,141,171,182,185,186 |
| 4 | 0.15 | 3lcmD | 0.804 | 2.56 | 0.179 | 0.920 | 1.07 | NAP | Download | 110,112,153,157 |
| 5 | 0.12 | 3ox1A | 0.783 | 2.92 | 0.156 | 0.935 | 1.00 | 695 | Download | 106,110,111,157 |
| 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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