|
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 | 1w9c0 | 0.192 | 5.24 | 0.027 | 0.229 | 0.49 | III | complex1.pdb.gz | 137,140,143,144,147,171,172,177,180,184,188 |
| 2 | 0.01 | 1u6g0 | 0.365 | 8.24 | 0.037 | 0.529 | 0.58 | III | complex2.pdb.gz | 141,145,201,203 |
| 3 | 0.01 | 1o6oA | 0.226 | 6.52 | 0.039 | 0.293 | 0.43 | III | complex3.pdb.gz | 183,208,213,216,217 |
| 4 | 0.01 | 2gl7A | 0.274 | 5.67 | 0.063 | 0.337 | 0.43 | III | complex4.pdb.gz | 140,144,147,168,181,185,188 |
| 5 | 0.01 | 1qz7A | 0.276 | 5.42 | 0.055 | 0.336 | 0.45 | III | complex5.pdb.gz | 183,209,211,215,248 |
| 6 | 0.01 | 1o6pA | 0.223 | 6.65 | 0.042 | 0.290 | 0.45 | III | complex6.pdb.gz | 173,177,180,181 |
| 7 | 0.01 | 2gl7D | 0.274 | 5.52 | 0.049 | 0.336 | 0.80 | III | complex7.pdb.gz | 144,147,149,166,178,182 |
| 8 | 0.01 | 2bptA | 0.273 | 7.77 | 0.036 | 0.379 | 0.52 | III | complex8.pdb.gz | 138,139,142,143,202,203,238,239 |
| 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. |
|