|
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 | 0.93 | 1grnA | 0.942 | 1.55 | 0.990 | 0.990 | 1.98 | UUU | complex1.pdb.gz | 12,13,15,16,17,18,28,32,34,35,60,61,116,118,119,158,159,160 |
| 2 | 0.74 | 1e0aA | 0.713 | 2.89 | 0.880 | 0.890 | 1.30 | GNP | complex2.pdb.gz | 17,18,19,21,22,35,81,113,115,156,157,158,159,161,165 |
| 3 | 0.66 | 1cf4A | 0.670 | 3.72 | 0.733 | 0.895 | 1.17 | GNP | complex3.pdb.gz | 31,81,82,83,84,113,114,116,117 |
| 4 | 0.57 | 1x86F | 0.882 | 1.41 | 0.511 | 0.932 | 1.02 | PO4 | complex4.pdb.gz | 12,13,15,16,17 |
| 5 | 0.49 | 2wm92 | 0.871 | 1.77 | 0.989 | 0.916 | 1.86 | III | complex5.pdb.gz | 1,3,17,26,27,28,39,40,43,44,45,50,54,55,56,57,58,59,64,67,70,73,74,160,161,162,166 |
| 6 | 0.49 | 1nf30 | 0.932 | 1.78 | 0.953 | 0.984 | 1.81 | III | complex6.pdb.gz | 23,24,25,36,37,38,39,40,41,42,43,44,45,46,47,64,67,70,166,170,173 |
| 7 | 0.48 | 1ki10 | 0.885 | 1.32 | 0.966 | 0.927 | 1.77 | III | complex7.pdb.gz | 39,40,41,56,59,64,65,66,67,70,71,74 |
| 8 | 0.47 | 1kzg1 | 0.890 | 1.77 | 0.941 | 0.953 | 1.72 | III | complex8.pdb.gz | 39,41,43,56,60,64,65,66,67,70,71,73,103,104 |
| 9 | 0.47 | 1a4r0 | 0.912 | 2.14 | 0.926 | 0.979 | 1.61 | III | complex9.pdb.gz | 46,166,167,170,174,177 |
| 10 | 0.40 | 2qmeA | 0.916 | 0.71 | 0.719 | 0.932 | 1.80 | III | complex10.pdb.gz | 23,24,25,36,37,38,39,40,41,42,43,44,45,46,47,64,166,170,174 |
| 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. |
|