|
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 | 0.29 | 2obyA | 0.763 | 2.69 | 0.227 | 0.845 | 0.75 | NAP | complex1.pdb.gz | 43,44,127,131,152,155,156,157,176,177,181,198,225,244,260,261 |
| 2 | 0.21 | 1yb5A | 0.754 | 2.45 | 0.162 | 0.834 | 0.60 | NAP | complex2.pdb.gz | 44,48,128,151,152,154,155,156,157,176,178,225,284,285,286 |
| 3 | 0.20 | 1lluA | 0.735 | 2.27 | 0.172 | 0.808 | 0.41 | NAD | complex3.pdb.gz | 51,127,131,152,153,154,155,156,157,176,177,184,224,262,285,286,287 |
| 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. |
|