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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 | 0.93 | 2duqA | 0.660 | 1.56 | 0.992 | 0.685 | 1.73 | MAN | complex1.pdb.gz | 131,166,190,260,261,262 |
| 2 | 0.43 | 2auyA | 0.523 | 2.55 | 0.175 | 0.579 | 0.99 | UUU | complex2.pdb.gz | 96,130,131,147,164,260,261,262 |
| 3 | 0.17 | 1lulA | 0.509 | 2.61 | 0.184 | 0.565 | 0.95 | CA | complex3.pdb.gz | 162,164,166,167 |
| 4 | 0.15 | 1lgbA | 0.413 | 2.36 | 0.180 | 0.452 | 0.91 | UUU | complex4.pdb.gz | 96,127,128,131,146,164,166 |
| 5 | 0.14 | 1locE | 0.412 | 2.32 | 0.175 | 0.449 | 0.89 | UUU | complex5.pdb.gz | 96,130,131,164,166,192 |
| 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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