|
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 | 1a9x1 | 0.234 | 8.54 | 0.040 | 0.360 | 0.16 | III | complex1.pdb.gz | 34,35,41 |
| 2 | 0.01 | 2c3oB | 0.225 | 8.94 | 0.018 | 0.354 | 0.23 | SF4 | complex2.pdb.gz | 30,31,33,34,35,36,37 |
| 3 | 0.01 | 1jdbE | 0.228 | 8.91 | 0.040 | 0.362 | 0.13 | PO4 | complex3.pdb.gz | 29,35,38 |
| 4 | 0.01 | 1jdbE | 0.228 | 8.91 | 0.040 | 0.362 | 0.27 | GLN | complex4.pdb.gz | 29,34,37 |
| 5 | 0.01 | 1a9x2 | 0.233 | 8.55 | 0.038 | 0.360 | 0.18 | III | complex5.pdb.gz | 28,34,35,38 |
| 6 | 0.01 | 1n35A | 0.247 | 8.59 | 0.057 | 0.381 | 0.11 | CH1 | complex6.pdb.gz | 34,35,36 |
| 7 | 0.01 | 1c30A | 0.232 | 8.42 | 0.044 | 0.354 | 0.16 | ORN | complex7.pdb.gz | 162,163,165 |
| 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. |
|