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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 | 1hj3A | 0.361 | 5.39 | 0.054 | 0.455 | 0.15 | HEC | complex1.pdb.gz | 302,346,347 |
| 2 | 0.01 | 1h9xA | 0.361 | 5.46 | 0.055 | 0.456 | 0.10 | DHE | complex2.pdb.gz | 343,344,345,616,617,663 |
| 3 | 0.01 | 1aofA | 0.362 | 5.38 | 0.056 | 0.455 | 0.11 | UUU | complex3.pdb.gz | 305,348,521,572 |
| 4 | 0.01 | 1n90A | 0.365 | 5.47 | 0.078 | 0.460 | 0.16 | HEC | complex4.pdb.gz | 291,294,295,302,345 |
| 5 | 0.01 | 1aomB | 0.361 | 5.41 | 0.051 | 0.455 | 0.17 | HEM | complex5.pdb.gz | 302,305,319,329,331,333 |
| 6 | 0.01 | 1gjqA | 0.366 | 5.50 | 0.081 | 0.462 | 0.11 | UUU | complex6.pdb.gz | 519,522,615 |
| | 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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