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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 | 0.46 | 1k9jA | 0.415 | 1.24 | 0.344 | 0.430 | 1.27 | UUU | complex1.pdb.gz | 206,207,209,240,242,244,253,259,260,265,266 |
| 2 | 0.17 | 2it5A | 0.422 | 1.22 | 0.370 | 0.436 | 1.37 | MAN | complex2.pdb.gz | 240,242,244,253,265,266,268 |
| 3 | 0.16 | 1k9iD | 0.421 | 1.20 | 0.370 | 0.436 | 1.33 | CA | complex3.pdb.gz | 216,218,221,243,253,254 |
| 4 | 0.13 | 2gguA | 0.452 | 2.30 | 0.199 | 0.502 | 0.86 | MLR | complex4.pdb.gz | 240,253,259,260,261,265,266,267 |
| 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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