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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 | 0.01 | 2ks9A | 0.440 | 5.33 | 0.051 | 0.723 | 0.16 | III | complex1.pdb.gz | 7,8,52,53,82 |
| 2 | 0.01 | 3epnA | 0.487 | 5.17 | 0.038 | 0.807 | 0.15 | IRN | complex2.pdb.gz | 43,44,52,70,79 |
| 3 | 0.01 | 1zedA | 0.453 | 5.39 | 0.030 | 0.752 | 0.17 | PNP | complex3.pdb.gz | 8,47,48 |
| 4 | 0.01 | 3epnB | 0.487 | 5.15 | 0.038 | 0.807 | 0.17 | IRN | complex4.pdb.gz | 53,79,80,81 |
| 5 | 0.01 | 1m6vC | 0.441 | 5.24 | 0.051 | 0.738 | 0.13 | ADP | complex5.pdb.gz | 6,7,8,13,14,16,35 |
| 6 | 0.01 | 1ce8E | 0.440 | 5.63 | 0.072 | 0.782 | 0.19 | IMP | complex6.pdb.gz | 7,9,50,51 |
| 7 | 0.01 | 2zo5A | 0.458 | 5.61 | 0.050 | 0.807 | 0.29 | HEC | complex7.pdb.gz | 6,7,43,68 |
| 8 | 0.01 | 1zefA | 0.337 | 5.89 | 0.047 | 0.624 | 0.19 | PHE | complex8.pdb.gz | 68,69,80 |
| 9 | 0.01 | 3epoB | 0.484 | 5.22 | 0.043 | 0.807 | 0.14 | MP5 | complex9.pdb.gz | 51,80,83 |
| 10 | 0.01 | 1a9xA | 0.444 | 5.71 | 0.073 | 0.782 | 0.15 | ADP | complex10.pdb.gz | 43,45,71,72,81,82 |
| 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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