|
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 | 0.79 | 3rzfA | 0.611 | 4.19 | 0.610 | 0.713 | 1.75 | XNM | complex1.pdb.gz | 21,29,42,96,97,98,99,102,103,106,152 |
| 2 | 0.45 | 1j1cA | 0.339 | 3.52 | 0.206 | 0.374 | 1.26 | ADP | complex2.pdb.gz | 24,29,42,44,74,97,98,99,105,149,150,152,166 |
| 3 | 0.19 | 2ow3A | 0.337 | 3.54 | 0.209 | 0.372 | 1.24 | BIM | complex3.pdb.gz | 21,25,42,97,98,99,102,104,149,152,165,166 |
| 4 | 0.19 | 3lj1A | 0.346 | 3.71 | 0.192 | 0.385 | 1.41 | DKI | complex4.pdb.gz | 21,22,23,42,97,98,99,100,152,165 |
| 5 | 0.19 | 3m1sA | 0.340 | 3.50 | 0.207 | 0.374 | 1.22 | DW1 | complex5.pdb.gz | 21,22,23,29,42,44,74,96,97,98,99,100,103,106,149,152,165,166 |
| 6 | 0.18 | 1q3wB | 0.339 | 3.55 | 0.209 | 0.374 | 1.17 | ATU | complex6.pdb.gz | 44,98,99,100,105,152,165,166 |
| 7 | 0.14 | 1q97B | 0.349 | 3.30 | 0.187 | 0.384 | 0.99 | ADN | complex7.pdb.gz | 23,28,42,73,98,99,100 |
| 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. |
|