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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 | 0.53 | 1nbf1 | 0.952 | 0.88 | 1.000 | 1.000 | 1.92 | III | complex1.pdb.gz | 2,4,6,8,11,12,13,14,33,35,36,37,40,42,44,45,46,47,48,49,62,63,64,65,66,68,69,70,71,72 |
| 2 | 0.51 | 2c7n1 | 0.970 | 0.54 | 1.000 | 1.000 | 2.01 | III | complex2.pdb.gz | 6,7,8,42,44,45,46,47,49,63,64,66,68,70,71,72,73 |
| 3 | 0.51 | 1aar0 | 0.961 | 0.65 | 1.000 | 1.000 | 1.83 | III | complex3.pdb.gz | 8,9,44,47,48,49,68,70,71,72 |
| 4 | 0.50 | 1yd80 | 0.959 | 0.65 | 1.000 | 1.000 | 1.69 | III | complex4.pdb.gz | 6,8,42,44,46,47,48,49,68 |
| 5 | 0.50 | 2d3gA | 0.970 | 0.40 | 1.000 | 0.986 | 1.59 | III | complex5.pdb.gz | 8,42,44,45,46,49,66,68,70,72 |
| 6 | 0.50 | 1wrd1 | 0.975 | 0.49 | 1.000 | 1.000 | 1.50 | III | complex6.pdb.gz | 8,42,44,46,47,48,68,70,73 |
| 7 | 0.12 | 1vcb2 | 0.897 | 1.10 | 0.264 | 0.986 | 1.01 | III | complex7.pdb.gz | 10,11,12,13,14,16,33 |
| 8 | 0.04 | 2d071 | 0.866 | 1.26 | 0.137 | 1.000 | 1.19 | 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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