|
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 | 1qgrA | 0.441 | 7.38 | 0.058 | 0.641 | 0.11 | III | complex1.pdb.gz | 85,89,135,230 |
| 2 | 0.01 | 3k5qA | 0.327 | 4.77 | 0.064 | 0.392 | 0.12 | QNA | complex2.pdb.gz | 58,86,88,131,133,134,137,179,362,403,406 |
| 3 | 0.01 | 2ot8A | 0.347 | 7.39 | 0.042 | 0.502 | 0.13 | III | complex3.pdb.gz | 85,88,129 |
| 4 | 0.01 | 3k5yA | 0.327 | 4.60 | 0.062 | 0.388 | 0.12 | QNA | complex4.pdb.gz | 54,85,88,131 |
| 5 | 0.01 | 2ie40 | 0.354 | 5.83 | 0.035 | 0.458 | 0.21 | III | complex5.pdb.gz | 86,125,172 |
| 6 | 0.01 | 3c2gB | 0.333 | 6.28 | 0.045 | 0.446 | 0.16 | III | complex6.pdb.gz | 89,133,135,138 |
| 7 | 0.01 | 3c2gA | 0.324 | 6.67 | 0.044 | 0.446 | 0.15 | III | complex7.pdb.gz | 146,147,153,230 |
| 8 | 0.01 | 2ot8B | 0.378 | 6.98 | 0.054 | 0.529 | 0.14 | III | complex8.pdb.gz | 54,58,88,130,135,177 |
| 9 | 0.01 | 2ot8A | 0.347 | 7.39 | 0.042 | 0.502 | 0.11 | III | complex9.pdb.gz | 89,225,226,229,236 |
| 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. |
|