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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 | 0.26 | 1fx8A | 0.824 | 1.05 | 0.402 | 0.844 | 1.68 | GOL | complex1.pdb.gz | 68,82,83,84,216 |
| 2 | 0.25 | 1fx8A | 0.824 | 1.05 | 0.402 | 0.844 | 1.48 | GOL | complex2.pdb.gz | 64,150,212,213,214,219 |
| 3 | 0.07 | 3d9sD | 0.732 | 2.28 | 0.261 | 0.793 | 1.28 | PS6 | complex3.pdb.gz | 62,185,186,187,194,198 |
| 4 | 0.05 | 2b6oA | 0.714 | 2.26 | 0.256 | 0.773 | 1.26 | MC3 | complex4.pdb.gz | 111,115,118,225,226,228 |
| 5 | 0.05 | 2b6oA | 0.714 | 2.26 | 0.256 | 0.773 | 1.24 | MC3 | complex5.pdb.gz | 99,100,103,106,107,110 |
| 6 | 0.05 | 2b6oA | 0.714 | 2.26 | 0.256 | 0.773 | 1.01 | MC3 | complex6.pdb.gz | 18,19,22,23,104,107 |
| 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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