|
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 | 0.30 | 3j0qk | 0.726 | 2.79 | 0.571 | 0.865 | 1.43 | QNA | complex1.pdb.gz | 21,22,23,24,25,26,27,28,32,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63,68,69,70,71,128,129,130,131 |
| 2 | 0.04 | 1mjiA | 0.693 | 3.04 | 0.238 | 0.843 | 0.56 | MG | complex2.pdb.gz | 136,152,154 |
| 3 | 0.01 | 2pzz0 | 0.461 | 3.31 | 0.076 | 0.607 | 0.67 | III | complex3.pdb.gz | 27,28,29,31,35,65,66 |
| 4 | 0.01 | 2pzz1 | 0.429 | 3.23 | 0.087 | 0.562 | 0.63 | III | complex4.pdb.gz | 26,27,28,35,112 |
| 5 | 0.01 | 1f8sA | 0.437 | 4.70 | 0.052 | 0.663 | 0.54 | BE2 | complex5.pdb.gz | 43,45,81,82,86 |
| 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. |
|