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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 | 0.04 | 1jgcA | 0.660 | 2.57 | 0.104 | 0.956 | 0.84 | HEM | complex1.pdb.gz | 28,35,57 |
| 2 | 0.04 | 3rifB | 0.658 | 2.52 | 0.076 | 0.912 | 1.06 | IVM | complex2.pdb.gz | 28,29,30,32,33,36 |
| 3 | 0.04 | 3ri5E | 0.657 | 2.49 | 0.076 | 0.912 | 1.03 | IVM | complex3.pdb.gz | 26,27,28,31,32,34,35 |
| 4 | 0.04 | 3rhwA | 0.655 | 2.45 | 0.076 | 0.912 | 0.99 | IVM | complex4.pdb.gz | 27,28,31,32,35 |
| 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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