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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 | 0.33 | 1cktA | 0.317 | 1.97 | 0.803 | 0.355 | 1.37 | QNA | complex1.pdb.gz | 11,13,17,20,21,24,38 |
| 2 | 0.11 | 2gzkA | 0.682 | 2.49 | 0.484 | 0.785 | 1.26 | QNA | complex2.pdb.gz | 10,11,13,14,17,21,24,25,35,37,95,100,101,104,120,124,125,128,131,150,153,157 |
| 3 | 0.11 | 2gzkA | 0.682 | 2.49 | 0.484 | 0.785 | 1.24 | QNA | complex3.pdb.gz | 11,14,15,16,38,42,43,46,49,50,61,64,68,93,94,95,97,101,105,108,120 |
| 4 | 0.10 | 1cktA | 0.317 | 1.97 | 0.803 | 0.355 | 1.19 | UUU | complex4.pdb.gz | 96,98,100,120,121,124,125,128,131 |
| 5 | 0.04 | 1j47A | 0.336 | 1.94 | 0.224 | 0.370 | 1.19 | QNA | complex5.pdb.gz | 95,98,100,120,121,124,125,128,131,132,139,143,150 |
| 6 | 0.03 | 1j46A | 0.335 | 1.97 | 0.224 | 0.370 | 1.24 | QNA | complex6.pdb.gz | 95,98,100,101,120,121,124,125,128,131,132,139,143,150 |
| 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. |
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