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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 | 0.05 | 2zjpF | 0.546 | 3.86 | 0.159 | 0.782 | 1.20 | III | complex1.pdb.gz | 26,27,30,31,34 |
| 2 | 0.04 | 2nxn1 | 0.552 | 3.73 | 0.225 | 0.782 | 0.78 | III | complex2.pdb.gz | 14,15,16,18,21,27,29,30,31,40,44,45,47,48,49,51,52,76,78 |
| 3 | 0.03 | 3f1fK | 0.501 | 4.42 | 0.182 | 0.782 | 0.88 | MG | complex3.pdb.gz | 10,64,65,67 |
| 4 | 0.01 | 3obtA | 0.461 | 5.14 | 0.112 | 0.806 | 0.66 | SLB | complex4.pdb.gz | 17,18,19,60 |
| 5 | 0.01 | 1hbmA | 0.454 | 4.49 | 0.055 | 0.721 | 0.64 | NA | complex5.pdb.gz | 28,32,33,39 |
| | 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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