|
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 | 0.89 | 1m6iA | 0.578 | 4.04 | 0.733 | 0.652 | 1.58 | FAD | complex1.pdb.gz | 138,139,140,141,142,162,164,165,172,173,176,177,231,232,233,259,260,261,284,285,286,311,437,438,453,454,455,458 |
| 2 | 0.15 | 2wbaA | 0.509 | 4.21 | 0.127 | 0.589 | 1.08 | NDP | complex2.pdb.gz | 139,140,163,164,165,232,259,260,261 |
| 3 | 0.03 | 3cgbB | 0.514 | 3.94 | 0.173 | 0.582 | 1.04 | COA | complex3.pdb.gz | 140,141,144,148,149,152,169,170,173,455,459,463 |
| 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. |
|