|
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 | 0.01 | 1gjwA | 0.501 | 4.82 | 0.045 | 0.822 | 0.27 | GLC | complex1.pdb.gz | 20,58,60 |
| 2 | 0.01 | 1mxgA | 0.500 | 4.38 | 0.038 | 0.800 | 0.27 | ACR | complex2.pdb.gz | 61,62,63,67 |
| 3 | 0.01 | 1mxdA | 0.498 | 4.46 | 0.045 | 0.807 | 0.12 | ACR | complex3.pdb.gz | 74,97,125 |
| 4 | 0.01 | 3as2A | 0.491 | 4.15 | 0.049 | 0.726 | 0.25 | POY | complex4.pdb.gz | 57,58,61 |
| 5 | 0.01 | 2wk2A | 0.492 | 4.31 | 0.024 | 0.748 | 0.11 | SN5 | complex5.pdb.gz | 61,67,68 |
| 6 | 0.01 | 3artA | 0.490 | 4.10 | 0.041 | 0.719 | 0.28 | DEQ | complex6.pdb.gz | 16,63,68,69 |
| 7 | 0.01 | 2x2iC | 0.413 | 5.36 | 0.053 | 0.793 | 0.19 | QPS | complex7.pdb.gz | 73,74,75 |
| 8 | 0.01 | 2x2iA | 0.424 | 4.64 | 0.045 | 0.711 | 0.18 | QPS | complex8.pdb.gz | 77,100,104 |
| 9 | 0.01 | 1mxdA | 0.498 | 4.46 | 0.045 | 0.807 | 0.32 | ACR | complex9.pdb.gz | 96,97,99 |
| 10 | 0.01 | 3aruA | 0.491 | 4.04 | 0.033 | 0.719 | 0.12 | PNX | complex10.pdb.gz | 23,36,37,39,40 |
| | 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. |
|