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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 | 0.08 | 3lduA | 0.532 | 4.62 | 0.113 | 0.687 | 1.01 | GTP | complex1.pdb.gz | 197,198,199,222,223,224,225,226,228,244,245,272,273,274,308,310 |
| 2 | 0.01 | 3k30A | 0.385 | 7.25 | 0.076 | 0.628 | 0.52 | SF4 | complex2.pdb.gz | 201,202,203,204,207,208,232 |
| 3 | 0.01 | 1a9x2 | 0.410 | 7.62 | 0.056 | 0.704 | 0.61 | III | complex3.pdb.gz | 199,202,205,206,209,234,235 |
| 4 | 0.01 | 1u2zA | 0.382 | 4.96 | 0.070 | 0.486 | 0.51 | SAH | complex4.pdb.gz | 196,198,223,229,244,245,246,273,274,309 |
| 5 | 0.01 | 1a9x1 | 0.409 | 7.54 | 0.053 | 0.698 | 0.61 | III | complex5.pdb.gz | 208,211,237,238 |
| 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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