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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 | 0.01 | 3acsA | 0.412 | 5.75 | 0.063 | 0.693 | 0.20 | BGC | complex1.pdb.gz | 20,181,182,187 |
| 2 | 0.01 | 3qfyB | 0.402 | 6.14 | 0.052 | 0.722 | 0.27 | BGC | complex2.pdb.gz | 157,169,182,186 |
| 3 | 0.01 | 3sjgA | 0.378 | 6.31 | 0.035 | 0.689 | 0.12 | SDR | complex3.pdb.gz | 113,182,183,190,191 |
| 4 | 0.01 | 3sjfA | 0.398 | 5.98 | 0.035 | 0.693 | 0.11 | JRG | complex4.pdb.gz | 104,105,165,180 |
| 5 | 0.01 | 1l8nA | 0.404 | 5.77 | 0.029 | 0.676 | 0.19 | XYP | complex5.pdb.gz | 155,167,169,178 |
| 6 | 0.01 | 2yajA | 0.386 | 6.16 | 0.043 | 0.685 | 0.18 | 4HP | complex6.pdb.gz | 105,222,224 |
| 7 | 0.01 | 3fedA | 0.333 | 6.60 | 0.039 | 0.639 | 0.12 | BIX | complex7.pdb.gz | 180,182,189,205 |
| 8 | 0.01 | 1k9fA | 0.397 | 5.74 | 0.044 | 0.672 | 0.12 | UUU | complex8.pdb.gz | 191,193,209,214 |
| 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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