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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 | 0.74 | 1o0rB | 0.685 | 1.03 | 0.446 | 0.699 | 1.55 | GDU | complex1.pdb.gz | 169,170,171,173,208,210,234,235,236,261,274,296,297,299,300,326,329,332,335 |
| 2 | 0.53 | 2fydD | 0.682 | 1.05 | 0.444 | 0.696 | 1.29 | NGA | complex2.pdb.gz | 210,234,237,259,271,273,274,296,297,299,300,326 |
| 3 | 0.07 | 1fr80 | 0.645 | 1.56 | 0.450 | 0.667 | 1.28 | III | complex3.pdb.gz | 250,251,270,304,308,309,311,312,313 |
| 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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