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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 | 0.51 | 2c7n1 | 0.961 | 0.51 | 1.000 | 0.987 | 2.01 | III | complex1.pdb.gz | 6,7,8,42,44,45,46,47,49,63,64,66,68,70,71,72,73 |
| 2 | 0.51 | 2ayo1 | 0.941 | 1.10 | 1.000 | 1.000 | 1.93 | III | complex2.pdb.gz | 2,4,6,7,8,10,12,14,35,37,40,42,44,47,48,49,64,68,70,71,72,73 |
| 3 | 0.51 | 1aar0 | 0.963 | 0.63 | 1.000 | 1.000 | 1.81 | III | complex3.pdb.gz | 8,9,44,47,48,49,68,70,71,72 |
| 4 | 0.49 | 2d3gB | 0.941 | 0.59 | 1.000 | 0.973 | 1.49 | III | complex4.pdb.gz | 8,44,47,48,49,68,70,72 |
| 5 | 0.49 | 1q0wB | 0.925 | 0.90 | 0.959 | 1.000 | 1.95 | III | complex5.pdb.gz | 8,42,44,45,46,47,49,62,68,69,70,71,72,73 |
| 6 | 0.11 | 1vcb2 | 0.892 | 1.18 | 0.260 | 0.987 | 1.02 | III | complex6.pdb.gz | 10,11,12,13,14,16,33,64 |
| 7 | 0.06 | 2io01 | 0.818 | 1.73 | 0.135 | 1.000 | 0.94 | III | complex7.pdb.gz | 39,42,46,47,49,51,54,59,68,70 |
| 8 | 0.04 | 2d071 | 0.847 | 1.31 | 0.137 | 0.987 | 1.10 | III | complex8.pdb.gz | 9,10,11,12,13,14,15,16,17,25,32,33,34 |
| 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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