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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 | 0.01 | 2wdrA | 0.417 | 5.20 | 0.019 | 0.717 | 0.33 | NA | complex1.pdb.gz | 123,124,177,178 |
| 2 | 0.01 | 1e1dA | 0.419 | 5.64 | 0.035 | 0.756 | 0.31 | SF4 | complex2.pdb.gz | 84,86,100,141,175 |
| 3 | 0.01 | 1gn9B | 0.423 | 5.42 | 0.029 | 0.744 | 0.20 | FSO | complex3.pdb.gz | 126,139,176 |
| 4 | 0.01 | 3h3xQ | 0.432 | 4.96 | 0.051 | 0.728 | 0.16 | FCO | complex4.pdb.gz | 139,140,177 |
| 5 | 0.01 | 1yqwQ | 0.431 | 4.89 | 0.051 | 0.722 | 0.23 | UUU | complex5.pdb.gz | 83,99,100,140,141,176 |
| 6 | 0.01 | 1e1dA | 0.419 | 5.64 | 0.035 | 0.756 | 0.15 | FSO | complex6.pdb.gz | 126,176,177 |
| 7 | 0.01 | 1gn9A | 0.423 | 5.47 | 0.035 | 0.744 | 0.29 | SF4 | complex7.pdb.gz | 83,84,85,86,125,175 |
| 8 | 0.01 | 3rgwL | 0.430 | 5.37 | 0.062 | 0.756 | 0.20 | NFU | complex8.pdb.gz | 98,99,126,135 |
| 9 | 0.01 | 2ptrA | 0.299 | 5.12 | 0.016 | 0.483 | 0.19 | 2SA | complex9.pdb.gz | 98,99,100,101,128 |
| 10 | 0.01 | 2wpnB | 0.418 | 5.33 | 0.026 | 0.711 | 0.27 | FCO | complex10.pdb.gz | 121,124,176 |
| 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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