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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 | 1tk3B | 0.362 | 7.66 | 0.041 | 0.617 | 0.55 | NDG | complex1.pdb.gz | 27,29,33,34,35 |
| 2 | 0.01 | 2ripA | 0.352 | 7.09 | 0.037 | 0.558 | 0.64 | UUU | complex2.pdb.gz | 12,13,14,49,50,51 |
| 3 | 0.01 | 2bgrA | 0.368 | 7.72 | 0.055 | 0.619 | 0.66 | UUU | complex3.pdb.gz | 24,31,33,34,35 |
| 4 | 0.01 | 1x70A | 0.353 | 7.53 | 0.030 | 0.591 | 0.74 | UUU | complex4.pdb.gz | 12,50,51,52 |
| 5 | 0.01 | 1tkrB | 0.356 | 7.47 | 0.056 | 0.597 | 0.54 | UUU | complex5.pdb.gz | 32,34,35,36 |
| | 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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