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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 | 3tw6C | 0.353 | 6.65 | 0.035 | 0.571 | 0.14 | COA | complex1.pdb.gz | 234,308,309,310 |
| 2 | 0.01 | 3tw6A | 0.362 | 6.78 | 0.028 | 0.593 | 0.15 | COA | complex2.pdb.gz | 289,290,291,292,337,338 |
| 3 | 0.01 | 3tw6A | 0.362 | 6.78 | 0.028 | 0.593 | 0.18 | ADP | complex3.pdb.gz | 233,242,273 |
| 4 | 0.01 | 3tw6D | 0.321 | 6.98 | 0.025 | 0.533 | 0.16 | ADP | complex4.pdb.gz | 230,233,234 |
| 5 | 0.01 | 3tw6B | 0.321 | 7.68 | 0.048 | 0.586 | 0.17 | ADP | complex5.pdb.gz | 272,276,278 |
| 6 | 0.01 | 1xmsA | 0.238 | 6.97 | 0.061 | 0.402 | 0.16 | ANP | complex6.pdb.gz | 226,227,228,229,230 |
| 7 | 0.01 | 3tw6C | 0.353 | 6.65 | 0.035 | 0.571 | 0.18 | ADP | complex7.pdb.gz | 222,230,231,232,255,310 |
| | 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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