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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 | 0.03 | 3mmhA | 0.698 | 2.31 | 0.099 | 0.890 | 0.52 | SME | complex1.pdb.gz | 20,24,74,85,87 |
| 2 | 0.02 | 3r7wD | 0.694 | 2.71 | 0.103 | 0.956 | 0.53 | GNP | complex2.pdb.gz | 36,87,88 |
| 3 | 0.02 | 1vet0 | 0.699 | 3.10 | 0.089 | 0.989 | 0.64 | III | complex3.pdb.gz | 44,45,48,51,52,54,55,63,64,65,66,67,68,69,70,71,72,76 |
| 4 | 0.01 | 3gv9A | 0.673 | 3.04 | 0.044 | 0.978 | 0.48 | GV9 | complex4.pdb.gz | 33,34,35 |
| 5 | 0.01 | 2hdqB | 0.660 | 3.10 | 0.034 | 0.978 | 0.50 | C21 | complex5.pdb.gz | 24,28,30 |
| | 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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