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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 | 1drtA | 0.546 | 3.92 | 0.103 | 0.934 | 0.16 | PCV | complex1.pdb.gz | 5,31,61,62,83 |
| 2 | 0.01 | 1dryA | 0.549 | 4.03 | 0.103 | 0.945 | 0.10 | AAG | complex2.pdb.gz | 28,29,30,34,59 |
| 3 | 0.01 | 1pbbA | 0.497 | 3.67 | 0.048 | 0.791 | 0.14 | DOB | complex3.pdb.gz | 31,33,62 |
| 4 | 0.01 | 1pbfA | 0.498 | 3.65 | 0.048 | 0.791 | 0.15 | BHA | complex4.pdb.gz | 52,55,61 |
| 5 | 0.01 | 3fmwB | 0.497 | 4.06 | 0.048 | 0.835 | 0.13 | FAD | complex5.pdb.gz | 18,19,53,62 |
| 6 | 0.01 | 3glfE | 0.500 | 3.86 | 0.060 | 0.802 | 0.28 | QNA | complex6.pdb.gz | 62,63,67 |
| 7 | 0.01 | 3c1nA | 0.504 | 3.06 | 0.082 | 0.802 | 0.36 | THR | complex7.pdb.gz | 28,30,31,32 |
| 8 | 0.01 | 2qa10 | 0.514 | 3.73 | 0.037 | 0.813 | 0.24 | III | complex8.pdb.gz | 60,61,63,65,67,68,73,75,76 |
| 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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