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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 | 0.73 | 1aypA | 0.834 | 0.73 | 0.500 | 0.855 | 1.48 | INB | complex1.pdb.gz | 22,25,26,38,41,47,49,51,64,67,68,71,72 |
| 2 | 0.66 | 1tp2A | 0.789 | 1.20 | 0.455 | 0.835 | 1.13 | TDA | complex2.pdb.gz | 25,41,42,49,50,64,67,68 |
| 3 | 0.59 | 1zwpA | 0.785 | 1.22 | 0.455 | 0.835 | 1.42 | NIM | complex3.pdb.gz | 47,49,50,51,68,82 |
| 4 | 0.58 | 1oxlA | 0.793 | 1.17 | 0.446 | 0.835 | 1.36 | IDA | complex4.pdb.gz | 22,25,29,37,49,50,67,68,71 |
| 5 | 0.48 | 2qhwA | 0.790 | 1.15 | 0.463 | 0.835 | 1.27 | PZZ | complex5.pdb.gz | 38,41,48,49,64 |
| 6 | 0.47 | 3cbiD | 0.795 | 1.07 | 0.455 | 0.835 | 1.08 | ANN | complex6.pdb.gz | 25,41,42,49,81 |
| 7 | 0.47 | 1jq9A | 0.789 | 1.23 | 0.446 | 0.835 | 1.45 | III | complex7.pdb.gz | 22,23,25,26,27,29,36,37,38,47,48,49,50,51,67,68,82 |
| 8 | 0.47 | 1sqzA | 0.786 | 1.22 | 0.455 | 0.835 | 0.91 | III | complex8.pdb.gz | 49,50,67,68,71 |
| 9 | 0.45 | 2otfA | 0.788 | 1.19 | 0.463 | 0.835 | 0.90 | 2TN | complex9.pdb.gz | 25,49,67 |
| 10 | 0.29 | 1aypA | 0.834 | 0.73 | 0.500 | 0.855 | 1.41 | CA | complex10.pdb.gz | 43,45,48,133,135 |
| 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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