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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 | 3afgB | 0.521 | 3.78 | 0.126 | 0.681 | 0.69 | CA | complex1.pdb.gz | 75,76,77,97,98,101 |
| 2 | 0.02 | 1wmfA | 0.513 | 3.36 | 0.115 | 0.649 | 0.63 | CA | complex2.pdb.gz | 98,100,102,103 |
| 3 | 0.01 | 3mihA | 0.457 | 4.56 | 0.074 | 0.691 | 0.81 | AZI | complex3.pdb.gz | 80,81,82,92,117 |
| 4 | 0.01 | 3kq4B | 0.458 | 4.59 | 0.064 | 0.681 | 0.60 | CA | complex4.pdb.gz | 77,120,124,125 |
| 5 | 0.01 | 1mdwA | 0.269 | 5.71 | 0.047 | 0.482 | 0.67 | CA | complex5.pdb.gz | 49,50,75 |
| 6 | 0.01 | 1sdwA | 0.457 | 4.69 | 0.072 | 0.696 | 0.62 | IYT | complex6.pdb.gz | 52,53,54,73,74,76,120 |
| 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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