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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 | 0.07 | 3sdxG | 0.814 | 1.38 | 0.225 | 0.919 | 0.43 | GCY | complex1.pdb.gz | 39,40,41,70,80 |
| 2 | 0.07 | 1mh5H | 0.815 | 1.51 | 0.185 | 0.931 | 0.50 | HAL | complex2.pdb.gz | 42,44,66,68,82,84 |
| 3 | 0.06 | 1ct8B | 0.803 | 1.75 | 0.183 | 0.943 | 0.40 | TAA | complex3.pdb.gz | 43,67,69,82 |
| 4 | 0.04 | 2po6C | 0.810 | 1.42 | 0.237 | 0.919 | 0.41 | AGH | complex4.pdb.gz | 20,21,22,60 |
| 5 | 0.04 | 1afv4 | 0.805 | 1.71 | 0.210 | 0.931 | 0.60 | III | complex5.pdb.gz | 41,46,70,76,77,78 |
| 6 | 0.04 | 25c8H | 0.807 | 1.69 | 0.222 | 0.931 | 0.40 | GEP | complex6.pdb.gz | 40,42,43,65,66,67,68 |
| 7 | 0.04 | 1oaxH | 0.796 | 1.93 | 0.210 | 0.931 | 0.41 | ANQ | complex7.pdb.gz | 41,43,65,68 |
| 8 | 0.04 | 2e7lC | 0.798 | 1.49 | 0.190 | 0.908 | 0.60 | III | complex8.pdb.gz | 35,36,37,74,75,76 |
| 9 | 0.04 | 2fr4H | 0.799 | 1.95 | 0.173 | 0.931 | 0.60 | QNA | complex9.pdb.gz | 45,66,67,68 |
| 10 | 0.04 | 3hnsH | 0.802 | 1.70 | 0.173 | 0.931 | 0.45 | UUU | complex10.pdb.gz | 41,45,70,72,73 |
| 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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