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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 | 0.05 | 3abwD | 0.534 | 3.73 | 0.097 | 0.658 | 1.15 | 22B | complex1.pdb.gz | 122,149,153,157 |
| 2 | 0.04 | 3abwA | 0.536 | 3.76 | 0.092 | 0.661 | 0.97 | AZI | complex2.pdb.gz | 119,122,153,157 |
| 3 | 0.04 | 3qblA | 0.535 | 3.78 | 0.092 | 0.661 | 0.89 | 22B | complex3.pdb.gz | 115,121,151,154 |
| 4 | 0.03 | 2i37A | 0.511 | 5.42 | 0.073 | 0.737 | 0.82 | UUU | complex4.pdb.gz | 122,150,151,154,155 |
| 5 | 0.02 | 3abwD | 0.534 | 3.73 | 0.097 | 0.658 | 0.83 | AZI | complex5.pdb.gz | 126,129,146,147,150 |
| 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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