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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 | 0.08 | 2z81A | 0.649 | 5.21 | 0.103 | 0.867 | 0.65 | PCJ | complex1.pdb.gz | 170,178,180,206,208,232,240,245,246,247,250,251,252 |
| 2 | 0.07 | 3a79A | 0.641 | 5.23 | 0.081 | 0.865 | 0.79 | PXS | complex2.pdb.gz | 161,162,165,166,169,180,208,211,213,219,232,240,243,245,246,247,250,251,252 |
| 3 | 0.02 | 1xec0 | 0.580 | 3.84 | 0.114 | 0.687 | 0.65 | III | complex3.pdb.gz | 87,107,109,152,154,179,181,237,239 |
| 4 | 0.02 | 3a79B | 0.605 | 5.08 | 0.091 | 0.792 | 0.77 | UUU | complex4.pdb.gz | 186,211,213,244 |
| 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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