|
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 | 0.04 | 2z82A | 0.604 | 5.21 | 0.106 | 0.776 | 0.71 | UUU | complex1.pdb.gz | 240,271,273,275,299,329 |
| 2 | 0.04 | 2p1pB | 0.591 | 4.39 | 0.113 | 0.719 | 0.50 | IAC | complex2.pdb.gz | 272,274,275,299,300,327,328,329,357 |
| 3 | 0.03 | 1a4y3 | 0.664 | 3.76 | 0.125 | 0.774 | 0.63 | III | complex3.pdb.gz | 185,213,214,239,273,275,297,299,303,326,329,353,385,386,388,389,390,391 |
| 4 | 0.02 | 2z7xA | 0.593 | 5.40 | 0.106 | 0.789 | 0.85 | PCJ | complex4.pdb.gz | 237,272,277,282,283,285,291,303,304,305,306,310,313,336 |
| 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. |
|