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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 | 0.20 | 3twtD | 0.936 | 0.85 | 0.323 | 0.971 | 1.08 | III | complex1.pdb.gz | 5,8,9,11,36,41,44,45,47,65,67,69,74,80 |
| 2 | 0.16 | 1wdyA | 0.885 | 1.40 | 0.333 | 0.971 | 0.87 | 25A | complex2.pdb.gz | 5,8,32,34,65,67,69,74,77,78,97 |
| 3 | 0.15 | 2nyjA | 0.840 | 1.98 | 0.284 | 1.000 | 1.06 | ATP | complex3.pdb.gz | 36,41,44,45,69,78 |
| 4 | 0.10 | 3twtB | 0.942 | 0.80 | 0.323 | 0.971 | 1.21 | III | complex4.pdb.gz | 66,67,68,97,99 |
| 5 | 0.09 | 1svx0 | 0.949 | 0.72 | 0.424 | 0.971 | 1.22 | III | complex5.pdb.gz | 8,33,34,36,41,44,45,65,78,80 |
| 6 | 0.08 | 2bkk1 | 0.938 | 0.81 | 0.414 | 0.971 | 1.15 | III | complex6.pdb.gz | 1,5,8,33,34,36,40,44,45,65,66,67,69,74,77,78 |
| 7 | 0.08 | 1g3n3 | 0.876 | 1.31 | 0.255 | 0.961 | 1.14 | III | complex7.pdb.gz | 5,8,9,32,36,41,42,46,48,65,67,69,74,77,78,79,80,82 |
| 8 | 0.07 | 3twtC | 0.937 | 0.84 | 0.323 | 0.971 | 1.31 | PE8 | complex8.pdb.gz | 45,46,78,79,80 |
| 9 | 0.07 | 2rfmB | 0.903 | 1.09 | 0.323 | 0.971 | 1.35 | BU2 | complex9.pdb.gz | 46,79,80,81,82,83 |
| 10 | 0.07 | 3depA | 0.895 | 1.07 | 0.357 | 0.961 | 1.01 | III | complex10.pdb.gz | 36,45,69,74,77,78,100 |
| 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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