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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 | 0.71 | 1meyF | 0.853 | 1.01 | 0.622 | 0.911 | 1.64 | QNA | complex1.pdb.gz | 10,12,13,14,17,20,21,24,42,45,48,49,52,66,70,73,76,77,80 |
| 2 | 0.69 | 1meyC | 0.849 | 0.97 | 0.598 | 0.911 | 1.29 | UUU | complex2.pdb.gz | 19,31,43,44,48,72 |
| 3 | 0.60 | 2jpaA | 0.853 | 0.82 | 0.494 | 0.900 | 0.98 | QNA | complex3.pdb.gz | 14,15,16,44,47,59,71,72,76 |
| 4 | 0.43 | 2jp9A | 0.825 | 1.12 | 0.494 | 0.900 | 1.21 | QNA | complex4.pdb.gz | 12,14,17,20,21,24,38,40,41,42,45,49,52,68,70,73,76 |
| 5 | 0.36 | 1llmD | 0.580 | 1.69 | 0.381 | 0.644 | 1.26 | QNA | complex5.pdb.gz | 14,15,16,19,20,41,43,44,47,48 |
| 6 | 0.33 | 1tf3A | 0.700 | 2.46 | 0.341 | 0.944 | 0.99 | QNA | complex6.pdb.gz | 29,38,39,40,41,45,48,49,52,57,67,68,69,73,76,77,80 |
| 7 | 0.24 | 1a1fA | 0.837 | 1.16 | 0.500 | 0.911 | 0.94 | QNA | complex7.pdb.gz | 44,59,71,72 |
| 8 | 0.17 | 2i13B | 0.927 | 1.13 | 0.511 | 0.989 | 0.98 | QNA | complex8.pdb.gz | 12,16,17,20,21,24,38,40,42,45,49,52,68,70,73,77,80 |
| 9 | 0.14 | 1p47A | 0.863 | 1.29 | 0.476 | 0.933 | 1.04 | QNA | complex9.pdb.gz | 16,20,42,43,44,70,71 |
| 10 | 0.09 | 1p47B | 0.853 | 0.98 | 0.488 | 0.911 | 1.52 | QNA | complex10.pdb.gz | 12,14,20,21,24,38,41,42,45,49,52,66,68,70,73,76,77,80 |
| 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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