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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 | 0.77 | 2wsbA | 0.700 | 1.68 | 0.254 | 0.729 | 1.36 | NAD | complex1.pdb.gz | 39,42,43,44,63,64,92,93,94,121,122,123,144,171,172,173,186,190,216,217,218,219,221,223,224 |
| 2 | 0.05 | 3ai3G | 0.705 | 1.64 | 0.240 | 0.741 | 1.16 | SOE | complex2.pdb.gz | 46,49,50,53,59,61 |
| 3 | 0.05 | 1vl80 | 0.699 | 1.46 | 0.227 | 0.729 | 0.99 | III | complex3.pdb.gz | 129,130,131,132,133,135,138,139,142,147,150,151,154,157,175,177,182,184,187,188,191,192,195,198,199,200,202,203 |
| 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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