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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 | 0.94 | 1zedA | 0.887 | 1.05 | 1.000 | 0.899 | 1.31 | PO3 | complex1.pdb.gz | 64,114,175,338,380 |
| 2 | 0.93 | 1ew2A | 0.883 | 1.09 | 1.000 | 0.895 | 1.74 | MG | complex2.pdb.gz | 64,177,333 |
| 3 | 0.41 | 2g9yA | 0.698 | 3.03 | 0.287 | 0.759 | 1.24 | ZN | complex3.pdb.gz | 64,115,379,380 |
| 4 | 0.38 | 1ew8A | 0.699 | 3.09 | 0.289 | 0.761 | 0.88 | PAE | complex4.pdb.gz | 64,113,114,188,338,379,380 |
| 5 | 0.05 | 2iuc0 | 0.601 | 2.00 | 0.271 | 0.628 | 0.99 | III | complex5.pdb.gz | 68,69,72,75,76,96,99,101,103,105,109,110,111,453,454,455,456,457,458,462,472,473,474 |
| 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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